5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C11H16N4OS — CID 114117439

IUPAC5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCSC1(CNC(=O)c2n[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C11H16N4OS/c1-17-11(4-5-11)6-12-10(16)9-13-8(14-15-9)7-2-3-7/h7H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyKRFXANBSMYGDEK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.31
Rot. Bonds5

About 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114117439) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID114117439
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCSC1(CNC(=O)c2n[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C11H16N4OS/c1-17-11(4-5-11)6-12-10(16)9-13-8(14-15-9)7-2-3-7/h7H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyKRFXANBSMYGDEK-UHFFFAOYSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113310987
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 107390227
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 106261497
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 131449897
5-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114701656
5-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 81177029
5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 114117439) is 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide is CSC1(CNC(=O)c2n[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is KRFXANBSMYGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-17-11(4-5-11)6-12-10(16)9-13-8(14-15-9)7-2-3-7/h7H,2-6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114117439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).