N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide

C10H14N6O — CID 64511227

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(CN(C)C(=O)Cn2cccn2)n[nH]1
InChIInChI=1S/C10H14N6O/c1-8-12-9(14-13-8)6-15(2)10(17)7-16-5-3-4-11-16/h3-5H,6-7H2,1-2H3,(H,12,13,14)
InChIKeyGEQSGBWMIRJTBJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.03
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 64511227) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID64511227
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESCc1nc(CN(C)C(=O)Cn2cccn2)n[nH]1
InChIInChI=1S/C10H14N6O/c1-8-12-9(14-13-8)6-15(2)10(17)7-16-5-3-4-11-16/h3-5H,6-7H2,1-2H3,(H,12,13,14)
InChIKeyGEQSGBWMIRJTBJ-UHFFFAOYSA-N
XLogP-0.03
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide (CID 64511227) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide is Cc1nc(CN(C)C(=O)Cn2cccn2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is GEQSGBWMIRJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-8-12-9(14-13-8)6-15(2)10(17)7-16-5-3-4-11-16/h3-5H,6-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 234.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 64511227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).