(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine

C4H8ClN3 — CID 137384148

IUPAC(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine
SMILESN/C=C(N)\C(Cl)=C/N
InChIInChI=1S/C4H8ClN3/c5-3(1-6)4(8)2-7/h1-2H,6-8H2/b3-1+,4-2+
InChIKeyRDZVQLJLIZVRHW-ZPUQHVIOSA-N
MW133.58 g/mol
LogP-0.22
Rot. Bonds1

About (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine

(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine (PubChem CID 137384148) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine.

Molecular Properties

Compound Name(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine
PubChem CID137384148
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC Name(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine
SMILESN/C=C(N)\C(Cl)=C/N
InChIInChI=1S/C4H8ClN3/c5-3(1-6)4(8)2-7/h1-2H,6-8H2/b3-1+,4-2+
InChIKeyRDZVQLJLIZVRHW-ZPUQHVIOSA-N
XLogP-0.22
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 5-0.22
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

2-chloroprop-1-en-1-amine
CID 151379752
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(E)-1-fluoroethene-1,2-diamine
CID 174009948
3-amino-2-chloroprop-2-enal
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(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510
2-amino-5-chlorohexa-2,4-dienedioic acid
CID 25203528
(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide
CID 90453490
(E,2E)-4-amino-2-(aminomethylidene)-4-chlorobut-3-enoic acid
CID 142397783
carbamodithioic acid;2-chlorobuta-1,3-diene
CID 88511716
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine?
The IUPAC name of (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine (CID 137384148) is (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine.
What is the SMILES notation for (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine?
The canonical SMILES for (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine is N/C=C(N)\C(Cl)=C/N.
What is the InChIKey of (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine?
The InChIKey is RDZVQLJLIZVRHW-ZPUQHVIOSA-N. The full InChI is InChI=1S/C4H8ClN3/c5-3(1-6)4(8)2-7/h1-2H,6-8H2/b3-1+,4-2+.
What are the key properties of (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine?
(1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine has a molecular weight of 133.58 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-3-chlorobuta-1,3-diene-1,2,4-triamine is sourced from PubChem (CID 137384148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).