5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine

C7H12N4 — CID 16767493

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
SMILESNCc1nnc2n1CCCC2
InChIInChI=1S/C7H12N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-5,8H2
InChIKeyDKRJNDYSGMPAAB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.07
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine (PubChem CID 16767493) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
PubChem CID16767493
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine
SMILESNCc1nnc2n1CCCC2
InChIInChI=1S/C7H12N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-5,8H2
InChIKeyDKRJNDYSGMPAAB-UHFFFAOYSA-N
XLogP0.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine (CID 16767493) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine is NCc1nnc2n1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
The InChIKey is DKRJNDYSGMPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-5,8H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine is sourced from PubChem (CID 16767493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).