6-imino-3H-pyridin-2-amine

C5H7N3 — CID 22645801

IUPAC6-imino-3H-pyridin-2-amine
SMILES[H]/N=C1\C=CCC(N)=N1
InChIInChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-2H,3H2,(H3,6,7,8)
InChIKeyOIBNPJOUKDQVFP-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.28
Rot. Bonds

About 6-imino-3H-pyridin-2-amine

6-imino-3H-pyridin-2-amine (PubChem CID 22645801) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-imino-3H-pyridin-2-amine.

Molecular Properties

Compound Name6-imino-3H-pyridin-2-amine
PubChem CID22645801
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name6-imino-3H-pyridin-2-amine
SMILES[H]/N=C1\C=CCC(N)=N1
InChIInChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-2H,3H2,(H3,6,7,8)
InChIKeyOIBNPJOUKDQVFP-UHFFFAOYSA-N
XLogP0.28
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-imino-3H-pyridin-2-amine?
The IUPAC name of 6-imino-3H-pyridin-2-amine (CID 22645801) is 6-imino-3H-pyridin-2-amine.
What is the SMILES notation for 6-imino-3H-pyridin-2-amine?
The canonical SMILES for 6-imino-3H-pyridin-2-amine is [H]/N=C1\C=CCC(N)=N1.
What is the InChIKey of 6-imino-3H-pyridin-2-amine?
The InChIKey is OIBNPJOUKDQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-2H,3H2,(H3,6,7,8).
What are the key properties of 6-imino-3H-pyridin-2-amine?
6-imino-3H-pyridin-2-amine has a molecular weight of 109.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3H-pyridin-2-amine is sourced from PubChem (CID 22645801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).