Chemical ID: 4630694

CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
Chemical ID:
4630694
Name [?]:
None
SMILES [?]:
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
InChi [?]:
InChI=1/C11H14N4O/c1-11(2)3-6-7(4-16-11)15-10-8(6)9(12)13-5-14-10/h5H,3-4H2,1-2H3,(H3,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,3,14,11,4,5,8,9,7,2,13,10,12,6,15/E:(1,2)/rA:16nCCCCCNCCCNCNNCOC/rB:s1;s2;s3;d4;s5;s6;s4s7;d8;s9;d10;d7s11;s9;s5;s2s14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N4O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.45366
Area:366.627
Solvation:-2.71201
Coulombic:-45.6823
Bond Count [?]
All:18
Single:14
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:218.255
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.88
LogP (Chemaxon):0.64

Name Annotations

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Descriptor Annotations

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