Chemical ID: 5300815

CC1(Cc2c(c3nncn3c(n2)c4ccccc4)CO1)C
Chemical ID:
5300815
Name [?]:
None
SMILES [?]:
CC1(Cc2c(c3nncn3c(n2)c4ccccc4)CO1)C
InChi [?]:
InChI=1/C16H16N4O/c1-16(2)8-13-12(9-21-16)15-19-17-10-20(15)14(18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,15,17,14,18,3,19,9,13,5,4,11,6,2,8,12,7,10,20/E:(1,2)(4,5)(6,7)/rA:21nCCCCCCNNCNCNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s10;s4d11;s11;s13;d14;s15;d16;d13s17;s5;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.36472
Area:447.954
Solvation:-2.83414
Coulombic:-24.4549
Bond Count [?]
All:24
Single:17
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:280.325
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.53
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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