ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide

C15H21N5O — CID 144709480

IUPACethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
SMILESC=C/C=C\C(=C/C=C)c1ncn(/C=C\C(=O)NN)n1.CC
InChIInChI=1S/C13H15N5O.C2H6/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14;1-2/h3-10H,1-2,14H2,(H,16,19);1-2H3/b7-5-,9-8-,11-6+;
InChIKeyHUUQBUCWOJQLLM-MXPUASAOSA-N
MW287.37 g/mol
LogP2.08
Rot. Bonds6

About ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide

ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide (PubChem CID 144709480) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide.

Molecular Properties

Compound Nameethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
PubChem CID144709480
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Nameethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
SMILESC=C/C=C\C(=C/C=C)c1ncn(/C=C\C(=O)NN)n1.CC
InChIInChI=1S/C13H15N5O.C2H6/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14;1-2/h3-10H,1-2,14H2,(H,16,19);1-2H3/b7-5-,9-8-,11-6+;
InChIKeyHUUQBUCWOJQLLM-MXPUASAOSA-N
XLogP2.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[3-[5,7-bis(trifluoromethyl)octa-3,5,7-trien-3-yl]-1,2,4-triazol-1-yl]-N-pyrrolidin-1-ylprop-2-enamide
CID 124033210
N-[[(E)-3-[3-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,2,4-triazol-1-yl]prop-2-enoyl]amino]-N'-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 169869506
2,2-dimethyl-N'-[(Z)-3-[3-[(3E,5E)-6-(pentafluoro-lambda6-sulfanyl)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1,2,4-triazol-1-yl]prop-2-enoyl]propanehydrazide
CID 174195895
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enamide
CID 137482064
(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 137482081
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086
5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 141163087
7-ethenyl-8-[(Z)-prop-1-enyl]-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
CID 145324809
2,2-dimethyl-N'-[(Z)-3-[3-(5-methyl-3-sulfanylcyclohexa-1,5-dien-1-yl)-1,2,4-triazol-1-yl]prop-2-enoyl]propanehydrazide
CID 170230590
5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 136742882

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide?
The IUPAC name of ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide (CID 144709480) is ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide.
What is the SMILES notation for ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide?
The canonical SMILES for ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide is C=C/C=C\C(=C/C=C)c1ncn(/C=C\C(=O)NN)n1.CC.
What is the InChIKey of ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide?
The InChIKey is HUUQBUCWOJQLLM-MXPUASAOSA-N. The full InChI is InChI=1S/C13H15N5O.C2H6/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14;1-2/h3-10H,1-2,14H2,(H,16,19);1-2H3/b7-5-,9-8-,11-6+;.
What are the key properties of ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide?
ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide has a molecular weight of 287.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide is sourced from PubChem (CID 144709480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).