Chemical ID: 6636305

C1CCc2c(c(n[nH]2)C(=O)NN=C3CCCC3)C1
Chemical ID:
6636305
Name [?]:
N-cyclopentylideneamino-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILES [?]:
C1CCc2c(c(n[nH]2)C(=O)NN=C3CCCC3)C1
InChi [?]:
InChI=1/C13H18N4O/c18-13(17-14-9-5-1-2-6-9)12-10-7-3-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,14,17,18,3,13,5,4,6,9,12,8,7,11,10/E:(1,2)(5,6)/rA:18nCCCCCCNNCONNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;d12;s13;s14;s15;s13s16;s1s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.34363
Area:435.398
Solvation:-2.54132
Coulombic:-29.1718
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:246.308
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.07
LogP (Chemaxon):2.22

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Descriptor Annotations

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