2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C6H9ClN4 — CID 112711625

IUPAC2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(Cl)nn21
InChIInChI=1S/C6H9ClN4/c7-6-9-5-3-1-2-4(8)11(5)10-6/h4H,1-3,8H2
InChIKeyNHKHNPIZWBEIPW-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.73
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 112711625) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID112711625
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(Cl)nn21
InChIInChI=1S/C6H9ClN4/c7-6-9-5-3-1-2-4(8)11(5)10-6/h4H,1-3,8H2
InChIKeyNHKHNPIZWBEIPW-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 112711625) is 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is NC1CCCc2nc(Cl)nn21.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is NHKHNPIZWBEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4/c7-6-9-5-3-1-2-4(8)11(5)10-6/h4H,1-3,8H2.
What are the key properties of 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 172.62 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 112711625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).