N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C12H14N4OS — CID 72717902

IUPACN-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C12H14N4OS/c1-15-7-11(13-14-15)12(17)16(10-2-3-10)6-9-4-5-18-8-9/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyBUGOTIJHMJRWDT-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.68
Rot. Bonds4

About N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 72717902) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID72717902
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C12H14N4OS/c1-15-7-11(13-14-15)12(17)16(10-2-3-10)6-9-4-5-18-8-9/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyBUGOTIJHMJRWDT-UHFFFAOYSA-N
XLogP1.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 73167959
1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
CID 72122361
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
CID 100690813
N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 164630867
2,2,2-Trifluoro-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanone
CID 62581413
1-{[(2S,4S)-4-Fluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 137901864
((2S,4S)-4-Fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-YL]methyl}tetrahydro-1H-pyrrol-1-YL)(3-thienyl)methanone
CID 137901899
1-{[(2S)-4,4-Difluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 137904082
(1-{[(2S)-4,4-Difluoro-1-(3-thienylmethyl)tetrahydro-1H-pyrrol-2-YL]methyl}-1H-1,2,3-triazol-4-YL)(1-pyrrolidinyl)methanone
CID 137961819
[1-[[4,4-Difluoro-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 171144343
(1-methyl-1H-1,2,3-triazol-4-yl)(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71807071

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 72717902) is N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is Cn1cc(C(=O)N(Cc2ccsc2)C2CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is BUGOTIJHMJRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-15-7-11(13-14-15)12(17)16(10-2-3-10)6-9-4-5-18-8-9/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 72717902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).