3-imino-2,4-dihydropyridin-1-amine

C5H9N3 — CID 123444114

IUPAC3-imino-2,4-dihydropyridin-1-amine
SMILES[H]/N=C1\CC=CN(N)C1
InChIInChI=1S/C5H9N3/c6-5-2-1-3-8(7)4-5/h1,3,6H,2,4,7H2/b6-5+
InChIKeyIELJWRGQRLAYHQ-AATRIKPKSA-N
MW111.15 g/mol
LogP0.10
Rot. Bonds

About 3-imino-2,4-dihydropyridin-1-amine

3-imino-2,4-dihydropyridin-1-amine (PubChem CID 123444114) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-imino-2,4-dihydropyridin-1-amine.

Molecular Properties

Compound Name3-imino-2,4-dihydropyridin-1-amine
PubChem CID123444114
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-imino-2,4-dihydropyridin-1-amine
SMILES[H]/N=C1\CC=CN(N)C1
InChIInChI=1S/C5H9N3/c6-5-2-1-3-8(7)4-5/h1,3,6H,2,4,7H2/b6-5+
InChIKeyIELJWRGQRLAYHQ-AATRIKPKSA-N
XLogP0.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2,4-dihydropyridin-1-amine?
The IUPAC name of 3-imino-2,4-dihydropyridin-1-amine (CID 123444114) is 3-imino-2,4-dihydropyridin-1-amine.
What is the SMILES notation for 3-imino-2,4-dihydropyridin-1-amine?
The canonical SMILES for 3-imino-2,4-dihydropyridin-1-amine is [H]/N=C1\CC=CN(N)C1.
What is the InChIKey of 3-imino-2,4-dihydropyridin-1-amine?
The InChIKey is IELJWRGQRLAYHQ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9N3/c6-5-2-1-3-8(7)4-5/h1,3,6H,2,4,7H2/b6-5+.
What are the key properties of 3-imino-2,4-dihydropyridin-1-amine?
3-imino-2,4-dihydropyridin-1-amine has a molecular weight of 111.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,4-dihydropyridin-1-amine is sourced from PubChem (CID 123444114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).