N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine

C9H14N4 — CID 163954954

IUPACN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine
SMILESC=NCCc1nc2n(n1)CCCC2
InChIInChI=1S/C9H14N4/c1-10-6-5-8-11-9-4-2-3-7-13(9)12-8/h1-7H2
InChIKeySCNWWHIBWXWPRO-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.86
Rot. Bonds3

About N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine

N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine (PubChem CID 163954954) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine
PubChem CID163954954
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine
SMILESC=NCCc1nc2n(n1)CCCC2
InChIInChI=1S/C9H14N4/c1-10-6-5-8-11-9-4-2-3-7-13(9)12-8/h1-7H2
InChIKeySCNWWHIBWXWPRO-UHFFFAOYSA-N
XLogP0.86
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine?
The IUPAC name of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine (CID 163954954) is N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine is C=NCCc1nc2n(n1)CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine?
The InChIKey is SCNWWHIBWXWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-10-6-5-8-11-9-4-2-3-7-13(9)12-8/h1-7H2.
What are the key properties of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine?
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine has a molecular weight of 178.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]methanimine is sourced from PubChem (CID 163954954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).