N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine

C14H14N4 — CID 83871146

IUPACN-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
SMILESCNCc1cccc2nnc(-c3ccccc3)n12
InChIInChI=1S/C14H14N4/c1-15-10-12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyYVYCXUVLDSAIKL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine

N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine (PubChem CID 83871146) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
PubChem CID83871146
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
SMILESCNCc1cccc2nnc(-c3ccccc3)n12
InChIInChI=1S/C14H14N4/c1-15-10-12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyYVYCXUVLDSAIKL-UHFFFAOYSA-N
XLogP2.12
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine (CID 83871146) is N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine is CNCc1cccc2nnc(-c3ccccc3)n12.
What is the InChIKey of N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine?
The InChIKey is YVYCXUVLDSAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-15-10-12-8-5-9-13-16-17-14(18(12)13)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3.
What are the key properties of N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine?
N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine is sourced from PubChem (CID 83871146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).