N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H19N7O — CID 146084823

IUPACN-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H19N7O/c1-5-21(9-12-7-16-20(4)8-12)14(23)13-18-15-17-10(2)6-11(3)22(15)19-13/h6-8H,5,9H2,1-4H3
InChIKeyCSYQYSYUPRAYFV-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.14
Rot. Bonds4

About N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 146084823) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID146084823
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H19N7O/c1-5-21(9-12-7-16-20(4)8-12)14(23)13-18-15-17-10(2)6-11(3)22(15)19-13/h6-8H,5,9H2,1-4H3
InChIKeyCSYQYSYUPRAYFV-UHFFFAOYSA-N
XLogP1.14
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 146084823) is N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN(Cc1cnn(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CSYQYSYUPRAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-5-21(9-12-7-16-20(4)8-12)14(23)13-18-15-17-10(2)6-11(3)22(15)19-13/h6-8H,5,9H2,1-4H3.
What are the key properties of N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,7-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 146084823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).