8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine

C10H12ClN5 — CID 84700451

IUPAC8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(C3CCNCC3)nnc12
InChIInChI=1S/C10H12ClN5/c11-8-10-15-14-9(16(10)6-5-13-8)7-1-3-12-4-2-7/h5-7,12H,1-4H2
InChIKeyRXWDNWNLODMBFW-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.24
Rot. Bonds1

About 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 84700451) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID84700451
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1nccn2c(C3CCNCC3)nnc12
InChIInChI=1S/C10H12ClN5/c11-8-10-15-14-9(16(10)6-5-13-8)7-1-3-12-4-2-7/h5-7,12H,1-4H2
InChIKeyRXWDNWNLODMBFW-UHFFFAOYSA-N
XLogP1.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295865
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
3,8-dichloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 133054598
3-(8-azabicyclo[3.2.1]octan-8-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295612
(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
CID 58388823
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 82166594
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684329

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 84700451) is 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine is Clc1nccn2c(C3CCNCC3)nnc12.
What is the InChIKey of 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RXWDNWNLODMBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-8-10-15-14-9(16(10)6-5-13-8)7-1-3-12-4-2-7/h5-7,12H,1-4H2.
What are the key properties of 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 237.69 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 84700451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).