(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

C12H11N5 — CID 117138334

IUPAC(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESNCc1ccc2nnc(-c3cccnc3)n2c1
InChIInChI=1S/C12H11N5/c13-6-9-3-4-11-15-16-12(17(11)8-9)10-2-1-5-14-7-10/h1-5,7-8H,6,13H2
InChIKeyBSBHUWCHEFXRLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.25
Rot. Bonds2

About (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 117138334) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID117138334
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESNCc1ccc2nnc(-c3cccnc3)n2c1
InChIInChI=1S/C12H11N5/c13-6-9-3-4-11-15-16-12(17(11)8-9)10-2-1-5-14-7-10/h1-5,7-8H,6,13H2
InChIKeyBSBHUWCHEFXRLD-UHFFFAOYSA-N
XLogP1.25
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
CID 117140840
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
3-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121412641
5-methyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 68716289
(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 83866625
6-[(4-methylphenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190735
6-[(4-fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678
(1-methyl-5-pyridin-3-ylimidazol-2-yl)methanamine
CID 83697482
3-[(3,4-difluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922172
(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 82506769

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 117138334) is (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is NCc1ccc2nnc(-c3cccnc3)n2c1.
What is the InChIKey of (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is BSBHUWCHEFXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-6-9-3-4-11-15-16-12(17(11)8-9)10-2-1-5-14-7-10/h1-5,7-8H,6,13H2.
What are the key properties of (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 225.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 117138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).