2H-pyridine-1,3,5-triamine

C5H10N4 — CID 139626540

IUPAC2H-pyridine-1,3,5-triamine
SMILESNC1=CN(N)CC(N)=C1
InChIInChI=1S/C5H10N4/c6-4-1-5(7)3-9(8)2-4/h1-2H,3,6-8H2
InChIKeyGXWYOGBJYKHTRG-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.18
Rot. Bonds

About 2H-pyridine-1,3,5-triamine

2H-pyridine-1,3,5-triamine (PubChem CID 139626540) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2H-pyridine-1,3,5-triamine.

Molecular Properties

Compound Name2H-pyridine-1,3,5-triamine
PubChem CID139626540
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2H-pyridine-1,3,5-triamine
SMILESNC1=CN(N)CC(N)=C1
InChIInChI=1S/C5H10N4/c6-4-1-5(7)3-9(8)2-4/h1-2H,3,6-8H2
InChIKeyGXWYOGBJYKHTRG-UHFFFAOYSA-N
XLogP-1.18
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridine-1,3,5-triamine?
The IUPAC name of 2H-pyridine-1,3,5-triamine (CID 139626540) is 2H-pyridine-1,3,5-triamine.
What is the SMILES notation for 2H-pyridine-1,3,5-triamine?
The canonical SMILES for 2H-pyridine-1,3,5-triamine is NC1=CN(N)CC(N)=C1.
What is the InChIKey of 2H-pyridine-1,3,5-triamine?
The InChIKey is GXWYOGBJYKHTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-4-1-5(7)3-9(8)2-4/h1-2H,3,6-8H2.
What are the key properties of 2H-pyridine-1,3,5-triamine?
2H-pyridine-1,3,5-triamine has a molecular weight of 126.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridine-1,3,5-triamine is sourced from PubChem (CID 139626540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).