1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide

C10H9N7O — CID 91629129

IUPAC1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnc3ccnn3c2)nn1
InChIInChI=1S/C10H9N7O/c1-16-6-8(14-15-16)10(18)13-7-4-11-9-2-3-12-17(9)5-7/h2-6H,1H3,(H,13,18)
InChIKeyWTKLPHOLXWJOAA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.11
Rot. Bonds2

About 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide

1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide (PubChem CID 91629129) has the molecular formula C10H9N7O and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide
PubChem CID91629129
Molecular FormulaC10H9N7O
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnc3ccnn3c2)nn1
InChIInChI=1S/C10H9N7O/c1-16-6-8(14-15-16)10(18)13-7-4-11-9-2-3-12-17(9)5-7/h2-6H,1H3,(H,13,18)
InChIKeyWTKLPHOLXWJOAA-UHFFFAOYSA-N
XLogP0.11
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 165415160
6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162666349
5-[[1-[5-(Dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441581
7-Amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449116
7-Amino-5-[[6-methyl-2-(1-methylpyrazol-4-yl)-3-oxopyridazin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449123
N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449695
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
US10155765, Example 53
CID 122515247

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide?
The IUPAC name of 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide (CID 91629129) is 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide is Cn1cc(C(=O)Nc2cnc3ccnn3c2)nn1.
What is the InChIKey of 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide?
The InChIKey is WTKLPHOLXWJOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O/c1-16-6-8(14-15-16)10(18)13-7-4-11-9-2-3-12-17(9)5-7/h2-6H,1H3,(H,13,18).
What are the key properties of 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide?
1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide has a molecular weight of 243.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrazolo[1,5-a]pyrimidin-6-yltriazole-4-carboxamide is sourced from PubChem (CID 91629129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).