(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium

C6H8N3+ — CID 142972757

IUPAC(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
SMILESC#[N+]C1N=CC=CC1N
InChIInChI=1S/C6H8N3/c1-8-6-5(7)3-2-4-9-6/h1-6H,7H2/q+1
InChIKeyXCSBXJOARINLJE-UHFFFAOYSA-N
MW122.15 g/mol
LogP0.24
Rot. Bonds

About (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium

(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium (PubChem CID 142972757) has the molecular formula C6H8N3+ and a molecular weight of 122.15 g/mol. Its IUPAC name is (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium.

Molecular Properties

Compound Name(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
PubChem CID142972757
Molecular FormulaC6H8N3+
Molecular Weight122.15 g/mol
Exact Mass122.07
IUPAC Name(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium
SMILESC#[N+]C1N=CC=CC1N
InChIInChI=1S/C6H8N3/c1-8-6-5(7)3-2-4-9-6/h1-6H,7H2/q+1
InChIKeyXCSBXJOARINLJE-UHFFFAOYSA-N
XLogP0.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydropyridin-2-amine
CID 18669108
2,3-Dihydropyridin-3-amine
CID 57288527
2,3-Dihydropyridin-2-ylmethanamine
CID 66665484
3-bromo-2H-pyridine-2,3-diamine
CID 67597930
N-methyl-2,3-dihydropyridin-3-amine
CID 70630719
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
2,3-Dihydropyridine-3,4-diamine
CID 89105867
3-Amino-3-methylpyridine
CID 89174215
3,4-dihydro-2H-azepin-3-amine
CID 135243851
3,6-dihydro-2H-azepin-3-amine
CID 135243862
2H-pyrrol-2-ylmethanamine
CID 140269713
2H-pyridine-3,3-diamine
CID 141229879

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium?
The IUPAC name of (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium (CID 142972757) is (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium.
What is the SMILES notation for (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium?
The canonical SMILES for (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium is C#[N+]C1N=CC=CC1N.
What is the InChIKey of (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium?
The InChIKey is XCSBXJOARINLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3/c1-8-6-5(7)3-2-4-9-6/h1-6H,7H2/q+1.
What are the key properties of (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium?
(3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium has a molecular weight of 122.15 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3-dihydropyridin-2-yl)-methylidyneazanium is sourced from PubChem (CID 142972757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).