3H-pyridin-3-id-6-amine

C5H5N2- — CID 134839827

IUPAC3H-pyridin-3-id-6-amine
SMILESNc1cc[c-]cn1
InChIInChI=1S/C5H5N2/c6-5-3-1-2-4-7-5/h1,3-4H,(H2,6,7)/q-1
InChIKeyNUKLHCYYXACMEF-UHFFFAOYSA-N
MW93.11 g/mol
LogP0.46
Rot. Bonds

About 3H-pyridin-3-id-6-amine

3H-pyridin-3-id-6-amine (PubChem CID 134839827) has the molecular formula C5H5N2- and a molecular weight of 93.11 g/mol. Its IUPAC name is 3H-pyridin-3-id-6-amine.

Molecular Properties

Compound Name3H-pyridin-3-id-6-amine
PubChem CID134839827
Molecular FormulaC5H5N2-
Molecular Weight93.11 g/mol
Exact Mass93.05
IUPAC Name3H-pyridin-3-id-6-amine
SMILESNc1cc[c-]cn1
InChIInChI=1S/C5H5N2/c6-5-3-1-2-4-7-5/h1,3-4H,(H2,6,7)/q-1
InChIKeyNUKLHCYYXACMEF-UHFFFAOYSA-N
XLogP0.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.11
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3H-pyridin-3-id-6-amine 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

2H-pyrrol-5-amine
CID 18184268
3H-pyridin-3-id-6-amine;yttrium
CID 59061890
2H-azepin-7-amine
CID 18800627
benzene;3H-pyridin-3-id-6-amine;yttrium
CID 59190357
(2Z)-N'-methylhexa-2,4-dienimidamide
CID 89017380
(Z)-N'-ethenylbut-2-enimidamide
CID 89082386
(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide
CID 91236794
(2Z)-N'-methylhexa-2,4,5-trienimidamide
CID 123347342
(2Z)-N'-ethenylpenta-2,4-dienimidamide
CID 126514165
N'-[(1Z,3Z)-penta-1,3-dienyl]ethanimidamide
CID 129029765
N'-[(1Z)-buta-1,3-dienyl]prop-2-enimidamide
CID 130267129
(2Z)-N'-methylpenta-2,4-dienimidamide
CID 134342425

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-3-id-6-amine?
The IUPAC name of 3H-pyridin-3-id-6-amine (CID 134839827) is 3H-pyridin-3-id-6-amine.
What is the SMILES notation for 3H-pyridin-3-id-6-amine?
The canonical SMILES for 3H-pyridin-3-id-6-amine is Nc1cc[c-]cn1.
What is the InChIKey of 3H-pyridin-3-id-6-amine?
The InChIKey is NUKLHCYYXACMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2/c6-5-3-1-2-4-7-5/h1,3-4H,(H2,6,7)/q-1.
What are the key properties of 3H-pyridin-3-id-6-amine?
3H-pyridin-3-id-6-amine has a molecular weight of 93.11 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-3-id-6-amine is sourced from PubChem (CID 134839827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).