(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine

C13H16N4 — CID 83871112

IUPAC(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
SMILESNCC1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C13H16N4/c14-9-10-6-7-17-12(8-10)15-16-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9,14H2
InChIKeyPVIXRSLEBKELFB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.47
Rot. Bonds2

About (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine

(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine (PubChem CID 83871112) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
PubChem CID83871112
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
SMILESNCC1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C13H16N4/c14-9-10-6-7-17-12(8-10)15-16-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9,14H2
InChIKeyPVIXRSLEBKELFB-UHFFFAOYSA-N
XLogP1.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine?
The IUPAC name of (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine (CID 83871112) is (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine.
What is the SMILES notation for (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine?
The canonical SMILES for (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine is NCC1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine?
The InChIKey is PVIXRSLEBKELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-9-10-6-7-17-12(8-10)15-16-13(17)11-4-2-1-3-5-11/h1-5,10H,6-9,14H2.
What are the key properties of (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine?
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine is sourced from PubChem (CID 83871112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).