buta-1,3-diene-1,2,4-triamine

C4H9N3 — CID 163586800

IUPACbuta-1,3-diene-1,2,4-triamine
SMILESNC=CC(N)=CN
InChIInChI=1S/C4H9N3/c5-2-1-4(7)3-6/h1-3H,5-7H2
InChIKeyGMDRVGGNJWRMBX-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.78
Rot. Bonds1

About buta-1,3-diene-1,2,4-triamine

buta-1,3-diene-1,2,4-triamine (PubChem CID 163586800) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is buta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Namebuta-1,3-diene-1,2,4-triamine
PubChem CID163586800
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Namebuta-1,3-diene-1,2,4-triamine
SMILESNC=CC(N)=CN
InChIInChI=1S/C4H9N3/c5-2-1-4(7)3-6/h1-3H,5-7H2
InChIKeyGMDRVGGNJWRMBX-UHFFFAOYSA-N
XLogP-0.78
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
CID 134355562
2,3-diaminoprop-2-enylidene(methyl)azanium
CID 149116825
(E)-3-aminoprop-2-enoic acid
CID 10148985
(E)-1-fluoroethene-1,2-diamine
CID 174009948
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
3-amino-1-silylprop-2-en-1-one
CID 154481802
(Z)-3-aminoprop-2-enoyl iodide
CID 163526607
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
CID 155693595
CID 155693595
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
CID 173022754
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene-1,2,4-triamine?
The IUPAC name of buta-1,3-diene-1,2,4-triamine (CID 163586800) is buta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for buta-1,3-diene-1,2,4-triamine?
The canonical SMILES for buta-1,3-diene-1,2,4-triamine is NC=CC(N)=CN.
What is the InChIKey of buta-1,3-diene-1,2,4-triamine?
The InChIKey is GMDRVGGNJWRMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c5-2-1-4(7)3-6/h1-3H,5-7H2.
What are the key properties of buta-1,3-diene-1,2,4-triamine?
buta-1,3-diene-1,2,4-triamine has a molecular weight of 99.14 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 163586800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).