6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5 — CID 6472653

IUPAC6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1Cc1ccccc1
InChIInChI=1S/C15H17N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h4-8,10H,9H2,1-3H3
InChIKeyITTXKNUVPPNQFN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.09
Rot. Bonds3

About 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 6472653) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID6472653
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1Cc1ccccc1
InChIInChI=1S/C15H17N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h4-8,10H,9H2,1-3H3
InChIKeyITTXKNUVPPNQFN-UHFFFAOYSA-N
XLogP2.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[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 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 6472653) is 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)C)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ITTXKNUVPPNQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-13(9-12-7-5-4-6-8-12)14(19(2)3)20-15(18-11)16-10-17-20/h4-8,10H,9H2,1-3H3.
What are the key properties of 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 6472653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).