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

C12H17N5 — CID 117139167

IUPAC3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCN1CCCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C12H17N5/c1-16-7-3-2-4-10(16)12-15-14-11-6-5-9(13)8-17(11)12/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyOTPHQIINZIEYLQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds1

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

3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 117139167) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID117139167
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCN1CCCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C12H17N5/c1-16-7-3-2-4-10(16)12-15-14-11-6-5-9(13)8-17(11)12/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyOTPHQIINZIEYLQ-UHFFFAOYSA-N
XLogP1.47
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 117139167) is 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CN1CCCCC1c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is OTPHQIINZIEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-7-3-2-4-10(16)12-15-14-11-6-5-9(13)8-17(11)12/h5-6,8,10H,2-4,7,13H2,1H3.
What are the key properties of 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 231.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 117139167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).