[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C12H17N5 — CID 117143204

IUPAC[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCN1CCC(c2nnc3cc(CN)ccn23)C1
InChIInChI=1S/C12H17N5/c1-16-4-3-10(8-16)12-15-14-11-6-9(7-13)2-5-17(11)12/h2,5-6,10H,3-4,7-8,13H2,1H3
InChIKeyHXLXEIKGWBOEET-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.61
Rot. Bonds2

About [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143204) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143204
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCN1CCC(c2nnc3cc(CN)ccn23)C1
InChIInChI=1S/C12H17N5/c1-16-4-3-10(8-16)12-15-14-11-6-9(7-13)2-5-17(11)12/h2,5-6,10H,3-4,7-8,13H2,1H3
InChIKeyHXLXEIKGWBOEET-UHFFFAOYSA-N
XLogP0.61
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143204) is [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is CN1CCC(c2nnc3cc(CN)ccn23)C1.
What is the InChIKey of [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is HXLXEIKGWBOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-4-3-10(8-16)12-15-14-11-6-9(7-13)2-5-17(11)12/h2,5-6,10H,3-4,7-8,13H2,1H3.
What are the key properties of [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).