2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H21N7 — CID 70772578

IUPAC2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nncn2CCc2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N7/c1-14-10-17(26-18(22-14)11-15(2)24-26)20-12-19-23-21-13-25(19)9-8-16-6-4-3-5-7-16/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKeyIEURMTFQHXLZOT-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.79
Rot. Bonds6

About 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70772578) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70772578
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nncn2CCc2ccccc2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N7/c1-14-10-17(26-18(22-14)11-15(2)24-26)20-12-19-23-21-13-25(19)9-8-16-6-4-3-5-7-16/h3-7,10-11,13,20H,8-9,12H2,1-2H3
InChIKeyIEURMTFQHXLZOT-UHFFFAOYSA-N
XLogP2.79
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70772578) is 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2nncn2CCc2ccccc2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IEURMTFQHXLZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-10-17(26-18(22-14)11-15(2)24-26)20-12-19-23-21-13-25(19)9-8-16-6-4-3-5-7-16/h3-7,10-11,13,20H,8-9,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70772578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).