2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine

C14H15N5 — CID 63795658

IUPAC2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine
SMILESCc1cc2nnc(-c3cccc(CCN)c3)n2cn1
InChIInChI=1S/C14H15N5/c1-10-7-13-17-18-14(19(13)9-16-10)12-4-2-3-11(8-12)5-6-15/h2-4,7-9H,5-6,15H2,1H3
InChIKeyGQCKZNWNIQWKAS-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.60
Rot. Bonds3

About 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine

2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine (PubChem CID 63795658) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine
PubChem CID63795658
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine
SMILESCc1cc2nnc(-c3cccc(CCN)c3)n2cn1
InChIInChI=1S/C14H15N5/c1-10-7-13-17-18-14(19(13)9-16-10)12-4-2-3-11(8-12)5-6-15/h2-4,7-9H,5-6,15H2,1H3
InChIKeyGQCKZNWNIQWKAS-UHFFFAOYSA-N
XLogP1.60
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine (CID 63795658) is 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine is Cc1cc2nnc(-c3cccc(CCN)c3)n2cn1.
What is the InChIKey of 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine?
The InChIKey is GQCKZNWNIQWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-7-13-17-18-14(19(13)9-16-10)12-4-2-3-11(8-12)5-6-15/h2-4,7-9H,5-6,15H2,1H3.
What are the key properties of 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine?
2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl]ethanamine is sourced from PubChem (CID 63795658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).