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

C9H16N4 — CID 117157006

IUPAC2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCCCc1nc2n(n1)CCC(N)C2
InChIInChI=1S/C9H16N4/c1-2-3-8-11-9-6-7(10)4-5-13(9)12-8/h7H,2-6,10H2,1H3
InChIKeyUSOZQCFLFAMLTR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.50
Rot. Bonds2

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

2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117157006) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117157006
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESCCCc1nc2n(n1)CCC(N)C2
InChIInChI=1S/C9H16N4/c1-2-3-8-11-9-6-7(10)4-5-13(9)12-8/h7H,2-6,10H2,1H3
InChIKeyUSOZQCFLFAMLTR-UHFFFAOYSA-N
XLogP0.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117157006) is 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is CCCc1nc2n(n1)CCC(N)C2.
What is the InChIKey of 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is USOZQCFLFAMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-3-8-11-9-6-7(10)4-5-13(9)12-8/h7H,2-6,10H2,1H3.
What are the key properties of 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 180.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117157006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).