8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

C20H22ClN5 — CID 57459512

IUPAC8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2
InChIKeyFZNYXOKZKWFUEV-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.66
Rot. Bonds4

About 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459512) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459512
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2
InChIKeyFZNYXOKZKWFUEV-UHFFFAOYSA-N
XLogP3.66
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459512) is 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(N2CCN(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FZNYXOKZKWFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c21-19-17(8-9-26-18(14-15-6-7-15)22-23-20(19)26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h1-5,8-9,15H,6-7,10-14H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 367.88 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).