2,3,4,5-tetrahydropyridine-3,5,6-triamine

C5H12N4 — CID 89342764

IUPAC2,3,4,5-tetrahydropyridine-3,5,6-triamine
SMILESNC1=NCC(N)CC1N
InChIInChI=1S/C5H12N4/c6-3-1-4(7)5(8)9-2-3/h3-4H,1-2,6-7H2,(H2,8,9)
InChIKeyQKZRXIMKPZWPRB-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.60
Rot. Bonds

About 2,3,4,5-tetrahydropyridine-3,5,6-triamine

2,3,4,5-tetrahydropyridine-3,5,6-triamine (PubChem CID 89342764) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-3,5,6-triamine.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-3,5,6-triamine
PubChem CID89342764
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2,3,4,5-tetrahydropyridine-3,5,6-triamine
SMILESNC1=NCC(N)CC1N
InChIInChI=1S/C5H12N4/c6-3-1-4(7)5(8)9-2-3/h3-4H,1-2,6-7H2,(H2,8,9)
InChIKeyQKZRXIMKPZWPRB-UHFFFAOYSA-N
XLogP-1.60
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-3,5,6-triamine?
The IUPAC name of 2,3,4,5-tetrahydropyridine-3,5,6-triamine (CID 89342764) is 2,3,4,5-tetrahydropyridine-3,5,6-triamine.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-3,5,6-triamine?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-3,5,6-triamine is NC1=NCC(N)CC1N.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-3,5,6-triamine?
The InChIKey is QKZRXIMKPZWPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c6-3-1-4(7)5(8)9-2-3/h3-4H,1-2,6-7H2,(H2,8,9).
What are the key properties of 2,3,4,5-tetrahydropyridine-3,5,6-triamine?
2,3,4,5-tetrahydropyridine-3,5,6-triamine has a molecular weight of 128.18 g/mol, XLogP of -1.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-3,5,6-triamine is sourced from PubChem (CID 89342764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).