5-imino-2H-pyridin-3-amine

C5H7N3 — CID 175714559

IUPAC5-imino-2H-pyridin-3-amine
SMILES[H]/N=C1\C=NCC(N)=C1
InChIInChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,6H,3,7H2/b6-4-
InChIKeyIBGGJKFBSHFDMH-XQRVVYSFSA-N
MW109.13 g/mol
LogP-0.07
Rot. Bonds

About 5-imino-2H-pyridin-3-amine

5-imino-2H-pyridin-3-amine (PubChem CID 175714559) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-imino-2H-pyridin-3-amine.

Molecular Properties

Compound Name5-imino-2H-pyridin-3-amine
PubChem CID175714559
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-imino-2H-pyridin-3-amine
SMILES[H]/N=C1\C=NCC(N)=C1
InChIInChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,6H,3,7H2/b6-4-
InChIKeyIBGGJKFBSHFDMH-XQRVVYSFSA-N
XLogP-0.07
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-imino-2H-pyridin-3-amine?
The IUPAC name of 5-imino-2H-pyridin-3-amine (CID 175714559) is 5-imino-2H-pyridin-3-amine.
What is the SMILES notation for 5-imino-2H-pyridin-3-amine?
The canonical SMILES for 5-imino-2H-pyridin-3-amine is [H]/N=C1\C=NCC(N)=C1.
What is the InChIKey of 5-imino-2H-pyridin-3-amine?
The InChIKey is IBGGJKFBSHFDMH-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-1-5(7)3-8-2-4/h1-2,6H,3,7H2/b6-4-.
What are the key properties of 5-imino-2H-pyridin-3-amine?
5-imino-2H-pyridin-3-amine has a molecular weight of 109.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2H-pyridin-3-amine is sourced from PubChem (CID 175714559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).