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

C13H15N5O — CID 137482081

IUPAC(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
InChIInChI=1S/C13H15N5O/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14/h3-10H,1-2,14H2,(H,16,19)/b7-5-,9-8-,11-6+
InChIKeyYQFGKAZSHKHREY-NXCNDBCVSA-N
MW257.30 g/mol
LogP1.05
Rot. Bonds6

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

(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide (PubChem CID 137482081) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (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 Name(Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
PubChem CID137482081
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(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
InChIInChI=1S/C13H15N5O/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14/h3-10H,1-2,14H2,(H,16,19)/b7-5-,9-8-,11-6+
InChIKeyYQFGKAZSHKHREY-NXCNDBCVSA-N
XLogP1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of (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 (Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide (CID 137482081) is (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 (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 (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.
What is the InChIKey of (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 YQFGKAZSHKHREY-NXCNDBCVSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-5-7-11(6-4-2)13-15-10-18(17-13)9-8-12(19)16-14/h3-10H,1-2,14H2,(H,16,19)/b7-5-,9-8-,11-6+.
What are the key properties of (Z)-3-[3-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2,4-triazol-1-yl]prop-2-enehydrazide?
(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 257.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 137482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).