6-N-butan-2-ylpyridine-2,3,6-triamine

C9H16N4 — CID 79822121

IUPAC6-N-butan-2-ylpyridine-2,3,6-triamine
SMILESCCC(C)Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H16N4/c1-3-6(2)12-8-5-4-7(10)9(11)13-8/h4-6H,3,10H2,1-2H3,(H3,11,12,13)
InChIKeyIIUBORNMLAIWKL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.46
Rot. Bonds3

About 6-N-butan-2-ylpyridine-2,3,6-triamine

6-N-butan-2-ylpyridine-2,3,6-triamine (PubChem CID 79822121) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-N-butan-2-ylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-butan-2-ylpyridine-2,3,6-triamine
PubChem CID79822121
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name6-N-butan-2-ylpyridine-2,3,6-triamine
SMILESCCC(C)Nc1ccc(N)c(N)n1
InChIInChI=1S/C9H16N4/c1-3-6(2)12-8-5-4-7(10)9(11)13-8/h4-6H,3,10H2,1-2H3,(H3,11,12,13)
InChIKeyIIUBORNMLAIWKL-UHFFFAOYSA-N
XLogP1.46
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-ylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-butan-2-ylpyridine-2,3,6-triamine (CID 79822121) is 6-N-butan-2-ylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-butan-2-ylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-butan-2-ylpyridine-2,3,6-triamine is CCC(C)Nc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-butan-2-ylpyridine-2,3,6-triamine?
The InChIKey is IIUBORNMLAIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-6(2)12-8-5-4-7(10)9(11)13-8/h4-6H,3,10H2,1-2H3,(H3,11,12,13).
What are the key properties of 6-N-butan-2-ylpyridine-2,3,6-triamine?
6-N-butan-2-ylpyridine-2,3,6-triamine has a molecular weight of 180.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-ylpyridine-2,3,6-triamine is sourced from PubChem (CID 79822121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).