7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C15H21ClN4 — CID 117134724

IUPAC7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCC(Cc2nc3cc(Cl)ccn3n2)C1
InChIInChI=1S/C15H21ClN4/c1-11(2)19-6-3-4-12(10-19)8-14-17-15-9-13(16)5-7-20(15)18-14/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyUHFNUQSPTRAYIE-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.05
Rot. Bonds3

About 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134724) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134724
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCC(Cc2nc3cc(Cl)ccn3n2)C1
InChIInChI=1S/C15H21ClN4/c1-11(2)19-6-3-4-12(10-19)8-14-17-15-9-13(16)5-7-20(15)18-14/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3
InChIKeyUHFNUQSPTRAYIE-UHFFFAOYSA-N
XLogP3.05
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117134724) is 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CC(C)N1CCCC(Cc2nc3cc(Cl)ccn3n2)C1.
What is the InChIKey of 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UHFNUQSPTRAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(2)19-6-3-4-12(10-19)8-14-17-15-9-13(16)5-7-20(15)18-14/h5,7,9,11-12H,3-4,6,8,10H2,1-2H3.
What are the key properties of 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 292.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).