2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine

C9H14N4 — CID 131241598

IUPAC2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine
SMILESC/C=C/CNc1nccc(N)c1N
InChIInChI=1S/C9H14N4/c1-2-3-5-12-9-8(11)7(10)4-6-13-9/h2-4,6H,5,11H2,1H3,(H3,10,12,13)/b3-2+
InChIKeyMYGXAQXYWYQSPY-NSCUHMNNSA-N
MW178.24 g/mol
LogP1.23
Rot. Bonds3

About 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine

2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine (PubChem CID 131241598) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine.

Molecular Properties

Compound Name2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine
PubChem CID131241598
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine
SMILESC/C=C/CNc1nccc(N)c1N
InChIInChI=1S/C9H14N4/c1-2-3-5-12-9-8(11)7(10)4-6-13-9/h2-4,6H,5,11H2,1H3,(H3,10,12,13)/b3-2+
InChIKeyMYGXAQXYWYQSPY-NSCUHMNNSA-N
XLogP1.23
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methylpyridine-2,3,4-triamine
CID 130593934
2-N-(3-methylbutyl)pyridine-2,3,4-triamine
CID 130593940
N-[(E)-but-2-enyl]-2-methylpyridin-4-amine
CID 131243959
3-[[(E)-but-2-enyl]amino]pyridazine-4-carbonitrile
CID 131246897
6-N-[(E)-but-2-enyl]pyridine-2,6-diamine
CID 131240121
1-N-[(E)-but-2-enyl]-4-iodobenzene-1,2-diamine
CID 131242821
2-N-(3-methylbut-2-enyl)pyridine-2,3-diamine
CID 106182042
N-but-2-enylquinolin-5-amine
CID 139612149
1-N-prop-2-enylisoquinoline-1,5-diamine
CID 82570222
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
N-[(E)-but-2-enyl]-4-chloroaniline
CID 10821279
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine?
The IUPAC name of 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine (CID 131241598) is 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine.
What is the SMILES notation for 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine?
The canonical SMILES for 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine is C/C=C/CNc1nccc(N)c1N.
What is the InChIKey of 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine?
The InChIKey is MYGXAQXYWYQSPY-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-3-5-12-9-8(11)7(10)4-6-13-9/h2-4,6H,5,11H2,1H3,(H3,10,12,13)/b3-2+.
What are the key properties of 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine?
2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine has a molecular weight of 178.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine is sourced from PubChem (CID 131241598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).