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

C15H19N7O — CID 43073940

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)c3cnn(C)c3C)nc2n1
InChIInChI=1S/C15H19N7O/c1-8-6-9(2)22-15(17-8)19-13(20-22)14(23)18-10(3)12-7-16-21(5)11(12)4/h6-7,10H,1-5H3,(H,18,23)
InChIKeyIEMBFARHYPJVDM-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.27
Rot. Bonds3

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

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 43073940) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID43073940
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)c3cnn(C)c3C)nc2n1
InChIInChI=1S/C15H19N7O/c1-8-6-9(2)22-15(17-8)19-13(20-22)14(23)18-10(3)12-7-16-21(5)11(12)4/h6-7,10H,1-5H3,(H,18,23)
InChIKeyIEMBFARHYPJVDM-UHFFFAOYSA-N
XLogP1.27
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 43073940) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC(C)c3cnn(C)c3C)nc2n1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IEMBFARHYPJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-8-6-9(2)22-15(17-8)19-13(20-22)14(23)18-10(3)12-7-16-21(5)11(12)4/h6-7,10H,1-5H3,(H,18,23).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 43073940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).