4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide

C10H14N6OS — CID 166252994

IUPAC4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCSCc1n[nH]c(CNC(=O)c2[nH]ncc2C)n1
InChIInChI=1S/C10H14N6OS/c1-6-3-12-16-9(6)10(17)11-4-7-13-8(5-18-2)15-14-7/h3H,4-5H2,1-2H3,(H,11,17)(H,12,16)(H,13,14,15)
InChIKeyXHHIIRFNAOSCQE-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.63
Rot. Bonds5

About 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide

4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 166252994) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID166252994
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCSCc1n[nH]c(CNC(=O)c2[nH]ncc2C)n1
InChIInChI=1S/C10H14N6OS/c1-6-3-12-16-9(6)10(17)11-4-7-13-8(5-18-2)15-14-7/h3H,4-5H2,1-2H3,(H,11,17)(H,12,16)(H,13,14,15)
InChIKeyXHHIIRFNAOSCQE-UHFFFAOYSA-N
XLogP0.63
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 110835261
N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
CID 130628972
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 83617586
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
CID 131910457
N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110857692
4-amino-N-[[3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82568852
4,6-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91797993
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
5-(2,6-difluorophenyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 167832138

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide (CID 166252994) is 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide is CSCc1n[nH]c(CNC(=O)c2[nH]ncc2C)n1.
What is the InChIKey of 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XHHIIRFNAOSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-6-3-12-16-9(6)10(17)11-4-7-13-8(5-18-2)15-14-7/h3H,4-5H2,1-2H3,(H,11,17)(H,12,16)(H,13,14,15).
What are the key properties of 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide?
4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166252994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).