8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C11H14ClN5 — CID 139295704

IUPAC8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C11H14ClN5/c1-8-3-2-5-16(7-8)11-15-14-10-9(12)13-4-6-17(10)11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyBUBRGADHXAQATN-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.01
Rot. Bonds1

About 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 139295704) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID139295704
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CCCN(c2nnc3c(Cl)nccn23)C1
InChIInChI=1S/C11H14ClN5/c1-8-3-2-5-16(7-8)11-15-14-10-9(12)13-4-6-17(10)11/h4,6,8H,2-3,5,7H2,1H3
InChIKeyBUBRGADHXAQATN-UHFFFAOYSA-N
XLogP2.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139296021
8-bromo-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine
CID 157322823
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685
5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
CID 130053500
2-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 102568303
2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
CID 79633490
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 139295704) is 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is CC1CCCN(c2nnc3c(Cl)nccn23)C1.
What is the InChIKey of 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BUBRGADHXAQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8-3-2-5-16(7-8)11-15-14-10-9(12)13-4-6-17(10)11/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 251.72 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 139295704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).