N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine

C10H14N4 — CID 143560436

IUPACN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
SMILESC/C=C\C=C(/C=C\C)Nc1ncn[nH]1
InChIInChI=1S/C10H14N4/c1-3-5-7-9(6-4-2)13-10-11-8-12-14-10/h3-8H,1-2H3,(H2,11,12,13,14)/b5-3-,6-4-,9-7+
InChIKeyFHNUZYVXKIVTKZ-AQJMMWSSSA-N
MW190.25 g/mol
LogP2.25
Rot. Bonds4

About N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine

N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 143560436) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
PubChem CID143560436
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
SMILESC/C=C\C=C(/C=C\C)Nc1ncn[nH]1
InChIInChI=1S/C10H14N4/c1-3-5-7-9(6-4-2)13-10-11-8-12-14-10/h3-8H,1-2H3,(H2,11,12,13,14)/b5-3-,6-4-,9-7+
InChIKeyFHNUZYVXKIVTKZ-AQJMMWSSSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine with MolForge

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Related Compounds

N-prop-2-enyl-1H-1,2,4-triazol-5-amine
CID 55287493
1-(1H-1,2,4-triazol-5-yl)-2H-pyridine
CID 57293588
hepta-2,4,6-trien-2-yl-methylidene-(1H-1,2,4-triazol-5-yl)azanium
CID 91145326
ethane;N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine
CID 143560435
ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
CID 145418886
(1Z,3Z)-4-iodo-N-methyl-3-(1,2,4-triazol-2-ium-1-yl)hexa-1,3,5-trien-1-amine iodide
CID 169911713
(5-Methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 352464
N-[(E)-but-2-enyl]-1H-1,2,4-triazol-5-amine
CID 13698364
(3E,5Z)-7-(1,2,4-triazol-1-yl)hepta-1,3,5-trien-4-amine
CID 143413781
N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
CID 145418887
5-N-cyclopenta-1,4-dien-1-yl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 157364833
5-N-cyclopenta-1,4-dien-1-yl-3-N,3-N-dimethyl-1H-1,2,4-triazole-3,5-diamine
CID 157364836

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine (CID 143560436) is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine is C/C=C\C=C(/C=C\C)Nc1ncn[nH]1.
What is the InChIKey of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is FHNUZYVXKIVTKZ-AQJMMWSSSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-5-7-9(6-4-2)13-10-11-8-12-14-10/h3-8H,1-2H3,(H2,11,12,13,14)/b5-3-,6-4-,9-7+.
What are the key properties of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine?
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 190.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 143560436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).