N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide

C12H11N5OS — CID 123747735

IUPACN-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
SMILESN#CC1(n2cc(CNC(=O)c3ccsc3)nn2)CC1
InChIInChI=1S/C12H11N5OS/c13-8-12(2-3-12)17-6-10(15-16-17)5-14-11(18)9-1-4-19-7-9/h1,4,6-7H,2-3,5H2,(H,14,18)
InChIKeyCWRFNHNNHDKQRR-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.28
Rot. Bonds4

About N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide

N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 123747735) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
PubChem CID123747735
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
SMILESN#CC1(n2cc(CNC(=O)c3ccsc3)nn2)CC1
InChIInChI=1S/C12H11N5OS/c13-8-12(2-3-12)17-6-10(15-16-17)5-14-11(18)9-1-4-19-7-9/h1,4,6-7H,2-3,5H2,(H,14,18)
InChIKeyCWRFNHNNHDKQRR-UHFFFAOYSA-N
XLogP1.28
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 53378493
N-[(S)-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 71459754
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]thiophene-3-carboxamide
CID 16090560
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylpropyl]thiophene-3-carboxamide
CID 69924681
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
CID 69925026
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-cyclohexylethyl]thiophene-3-carboxamide
CID 69925195
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(4,4-difluorocyclohexyl)methyl]thiophene-3-carboxamide
CID 69925506
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 69925527
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclopentylmethyl]thiophene-3-carboxamide
CID 71461472
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-(1,1-dioxothian-4-yl)methyl]thiophene-3-carboxamide
CID 53377751
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-methylsulfonylpropyl]thiophene-3-carboxamide
CID 53377864
N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide
CID 53377865

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide (CID 123747735) is N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide is N#CC1(n2cc(CNC(=O)c3ccsc3)nn2)CC1.
What is the InChIKey of N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is CWRFNHNNHDKQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-8-12(2-3-12)17-6-10(15-16-17)5-14-11(18)9-1-4-19-7-9/h1,4,6-7H,2-3,5H2,(H,14,18).
What are the key properties of N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide?
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 123747735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).