N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine

C5H12N4O — CID 163595878

IUPACN-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine
SMILESNC(N)=C/C=C/C(N)NO
InChIInChI=1S/C5H12N4O/c6-4(7)2-1-3-5(8)9-10/h1-3,5,9-10H,6-8H2/b3-1+
InChIKeyGTJQDXRBZMNREE-HNQUOIGGSA-N
MW144.18 g/mol
LogP-1.43
Rot. Bonds3

About N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine

N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine (PubChem CID 163595878) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine
PubChem CID163595878
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine
SMILESNC(N)=C/C=C/C(N)NO
InChIInChI=1S/C5H12N4O/c6-4(7)2-1-3-5(8)9-10/h1-3,5,9-10H,6-8H2/b3-1+
InChIKeyGTJQDXRBZMNREE-HNQUOIGGSA-N
XLogP-1.43
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
N-[amino(fluoro)methyl]hydroxylamine
CID 58260514
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(Z)-3-amino-N-propan-2-ylbut-2-enamide
CID 55280984
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(3E,5E,7E)-2-amino-6,8-dichloronona-3,5,7-triene-1-thiol
CID 88578804
methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
N-[(Z)-3-amino-5-methyliminopent-3-en-2-yl]hydroxylamine
CID 168886817
N-[(E)-2-aminoprop-1-enyl]hydroxylamine
CID 143322013
N-(1-amino-2-methylpropyl)hydroxylamine
CID 143791715

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine?
The IUPAC name of N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine (CID 163595878) is N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine.
What is the SMILES notation for N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine?
The canonical SMILES for N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine is NC(N)=C/C=C/C(N)NO.
What is the InChIKey of N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine?
The InChIKey is GTJQDXRBZMNREE-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H12N4O/c6-4(7)2-1-3-5(8)9-10/h1-3,5,9-10H,6-8H2/b3-1+.
What are the key properties of N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine?
N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine has a molecular weight of 144.18 g/mol, XLogP of -1.43, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1,5,5-triaminopenta-2,4-dienyl]hydroxylamine is sourced from PubChem (CID 163595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).