[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C12H16N4O — CID 117129323

IUPAC[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCCOC3)nn2c1
InChIInChI=1S/C12H16N4O/c13-6-9-3-4-11-14-12(15-16(11)7-9)10-2-1-5-17-8-10/h3-4,7,10H,1-2,5-6,8,13H2
InChIKeyOYHFCQBYUDNAEN-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds2

About [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117129323) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117129323
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCCOC3)nn2c1
InChIInChI=1S/C12H16N4O/c13-6-9-3-4-11-14-12(15-16(11)7-9)10-2-1-5-17-8-10/h3-4,7,10H,1-2,5-6,8,13H2
InChIKeyOYHFCQBYUDNAEN-UHFFFAOYSA-N
XLogP1.08
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117128913
[2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129335
6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128802
[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129465
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
2-[5-[4-(aminomethyl)phenyl]-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74243117
2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
CID 65333628
[2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117134118
(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
CID 165431577
[2-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-yl]methanol
CID 156518758
[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
CID 82503935

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 117129323) is [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2nc(C3CCCOC3)nn2c1.
What is the InChIKey of [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is OYHFCQBYUDNAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-6-9-3-4-11-14-12(15-16(11)7-9)10-2-1-5-17-8-10/h3-4,7,10H,1-2,5-6,8,13H2.
What are the key properties of [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117129323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).