1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine

C8H11N5 — CID 82410441

IUPAC1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine
SMILESCc1nc2cc(C(C)N)ncn2n1
InChIInChI=1S/C8H11N5/c1-5(9)7-3-8-11-6(2)12-13(8)4-10-7/h3-5H,9H2,1-2H3
InChIKeyMXFGHUJBOPRNKM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.45
Rot. Bonds1

About 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine

1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine (PubChem CID 82410441) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine
PubChem CID82410441
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine
SMILESCc1nc2cc(C(C)N)ncn2n1
InChIInChI=1S/C8H11N5/c1-5(9)7-3-8-11-6(2)12-13(8)4-10-7/h3-5H,9H2,1-2H3
InChIKeyMXFGHUJBOPRNKM-UHFFFAOYSA-N
XLogP0.45
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine 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 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine?
The IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine (CID 82410441) is 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine.
What is the SMILES notation for 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine?
The canonical SMILES for 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine is Cc1nc2cc(C(C)N)ncn2n1.
What is the InChIKey of 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine?
The InChIKey is MXFGHUJBOPRNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5(9)7-3-8-11-6(2)12-13(8)4-10-7/h3-5H,9H2,1-2H3.
What are the key properties of 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine?
1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine has a molecular weight of 177.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine is sourced from PubChem (CID 82410441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).