N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide

C9H12N6O — CID 47338194

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cn[nH]n1
InChIInChI=1S/C9H12N6O/c1-14(5-7-3-11-15(2)6-7)9(16)8-4-10-13-12-8/h3-4,6H,5H2,1-2H3,(H,10,12,13)
InChIKeyNAWPOTZGXFIUKS-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.19
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide (PubChem CID 47338194) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide
PubChem CID47338194
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cn[nH]n1
InChIInChI=1S/C9H12N6O/c1-14(5-7-3-11-15(2)6-7)9(16)8-4-10-13-12-8/h3-4,6H,5H2,1-2H3,(H,10,12,13)
InChIKeyNAWPOTZGXFIUKS-UHFFFAOYSA-N
XLogP-0.19
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide (CID 47338194) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is NAWPOTZGXFIUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-14(5-7-3-11-15(2)6-7)9(16)8-4-10-13-12-8/h3-4,6H,5H2,1-2H3,(H,10,12,13).
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 220.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).