2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H21N7 — CID 56911737

IUPAC2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC(C)c3nncn3C)n2n1
InChIInChI=1S/C15H21N7/c1-9(2)12-7-14(22-13(18-12)6-10(3)20-22)17-11(4)15-19-16-8-21(15)5/h6-9,11,17H,1-5H3
InChIKeyGDGDDQQGJNVAJC-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56911737) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56911737
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc2nc(C(C)C)cc(NC(C)c3nncn3C)n2n1
InChIInChI=1S/C15H21N7/c1-9(2)12-7-14(22-13(18-12)6-10(3)20-22)17-11(4)15-19-16-8-21(15)5/h6-9,11,17H,1-5H3
InChIKeyGDGDDQQGJNVAJC-UHFFFAOYSA-N
XLogP2.46
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56911737) is 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2nc(C(C)C)cc(NC(C)c3nncn3C)n2n1.
What is the InChIKey of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GDGDDQQGJNVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-9(2)12-7-14(22-13(18-12)6-10(3)20-22)17-11(4)15-19-16-8-21(15)5/h6-9,11,17H,1-5H3.
What are the key properties of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56911737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).