6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine

C5H11N5 — CID 68556158

IUPAC6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine
SMILES[H]/N=C1\N=C(N)C(N)CC1N
InChIInChI=1S/C5H11N5/c6-2-1-3(7)5(9)10-4(2)8/h2-3H,1,6-7H2,(H3,8,9,10)
InChIKeyVHXMDCFZFHEQOQ-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.62
Rot. Bonds

About 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine

6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine (PubChem CID 68556158) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine.

Molecular Properties

Compound Name6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine
PubChem CID68556158
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine
SMILES[H]/N=C1\N=C(N)C(N)CC1N
InChIInChI=1S/C5H11N5/c6-2-1-3(7)5(9)10-4(2)8/h2-3H,1,6-7H2,(H3,8,9,10)
InChIKeyVHXMDCFZFHEQOQ-UHFFFAOYSA-N
XLogP-1.62
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-4,5-dihydro-3H-pyridine-2,3,5-triamine?
The IUPAC name of 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine (CID 68556158) is 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine.
What is the SMILES notation for 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine?
The canonical SMILES for 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine is [H]/N=C1\N=C(N)C(N)CC1N.
What is the InChIKey of 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine?
The InChIKey is VHXMDCFZFHEQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c6-2-1-3(7)5(9)10-4(2)8/h2-3H,1,6-7H2,(H3,8,9,10).
What are the key properties of 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine?
6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine has a molecular weight of 141.18 g/mol, XLogP of -1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4,5-dihydro-3H-pyridine-2,3,5-triamine is sourced from PubChem (CID 68556158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).