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

C12H21N5 — CID 117157802

IUPAC2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCN1CCCC(c2nc3n(n2)CCCC3N)C1
InChIInChI=1S/C12H21N5/c1-16-6-2-4-9(8-16)11-14-12-10(13)5-3-7-17(12)15-11/h9-10H,2-8,13H2,1H3
InChIKeyMBPGAGQDASBRQK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.88
Rot. Bonds1

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

2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117157802) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117157802
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCN1CCCC(c2nc3n(n2)CCCC3N)C1
InChIInChI=1S/C12H21N5/c1-16-6-2-4-9(8-16)11-14-12-10(13)5-3-7-17(12)15-11/h9-10H,2-8,13H2,1H3
InChIKeyMBPGAGQDASBRQK-UHFFFAOYSA-N
XLogP0.88
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117157802) is 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CN1CCCC(c2nc3n(n2)CCCC3N)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is MBPGAGQDASBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16-6-2-4-9(8-16)11-14-12-10(13)5-3-7-17(12)15-11/h9-10H,2-8,13H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 235.33 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117157802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).