N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide

C12H13N7O — CID 166746677

IUPACN-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)nn2c(-c2cnn(C)c2)n1
InChIInChI=1S/C12H13N7O/c1-7-14-11-4-10(15-8(2)20)16-12(19(11)17-7)9-5-13-18(3)6-9/h4-6H,1-3H3,(H,15,20)
InChIKeyLQMOEPQWCHBNOT-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.79
Rot. Bonds2

About N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide

N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (PubChem CID 166746677) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
PubChem CID166746677
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)nn2c(-c2cnn(C)c2)n1
InChIInChI=1S/C12H13N7O/c1-7-14-11-4-10(15-8(2)20)16-12(19(11)17-7)9-5-13-18(3)6-9/h4-6H,1-3H3,(H,15,20)
InChIKeyLQMOEPQWCHBNOT-UHFFFAOYSA-N
XLogP0.79
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The IUPAC name of N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (CID 166746677) is N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide is CC(=O)Nc1cc2nc(C)nn2c(-c2cnn(C)c2)n1.
What is the InChIKey of N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The InChIKey is LQMOEPQWCHBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-7-14-11-4-10(15-8(2)20)16-12(19(11)17-7)9-5-13-18(3)6-9/h4-6H,1-3H3,(H,15,20).
What are the key properties of N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 166746677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).