5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide

C11H18N4OS — CID 113494223

IUPAC5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCSC(C)CCNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4OS/c1-7(17-2)5-6-12-11(16)10-13-9(14-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyZTVWXZOTQJLQDA-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.55
Rot. Bonds6

About 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 113494223) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID113494223
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCSC(C)CCNC(=O)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C11H18N4OS/c1-7(17-2)5-6-12-11(16)10-13-9(14-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyZTVWXZOTQJLQDA-UHFFFAOYSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 80507237
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
5-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114117439
5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
CID 131449897
5-cyclopropyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 107854514
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004
1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113310987
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496294
5-methyl-N-(5-methylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 115326905

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide (CID 113494223) is 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide is CSC(C)CCNC(=O)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ZTVWXZOTQJLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(17-2)5-6-12-11(16)10-13-9(14-15-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 113494223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).