N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide

C23H26N6O2 — CID 8968723

IUPACN'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H26N6O2/c1-3-28(4-2)21-13-10-19(11-14-21)23(31)26-25-22(30)15-12-20-17-29(27-24-20)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3,(H,25,30)(H,26,31)/b15-12+
InChIKeyDNMBQPCFSJIZMU-NTCAYCPXSA-N
MW418.50 g/mol
LogP2.65
Rot. Bonds8

About N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide

N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide (PubChem CID 8968723) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
PubChem CID8968723
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H26N6O2/c1-3-28(4-2)21-13-10-19(11-14-21)23(31)26-25-22(30)15-12-20-17-29(27-24-20)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3,(H,25,30)(H,26,31)/b15-12+
InChIKeyDNMBQPCFSJIZMU-NTCAYCPXSA-N
XLogP2.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
CID 9071736
1-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-3-tert-butylthiourea
CID 9088915
(E)-3-(1-benzyltriazol-4-yl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26692197
(E)-3-(1-benzyltriazol-4-yl)-N-pentan-2-ylprop-2-enamide
CID 17417147
(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217320
(E)-3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 154884212
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-5-chloro-2-methoxybenzohydrazide
CID 9085245
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9156146
(E)-3-(1-benzyltriazol-4-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 9070523
(E)-3-(1-benzyltriazol-4-yl)-N'-[2-(2,6-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 9087576
(E)-3-(1-benzyltriazol-4-yl)-N-(3-ethylpent-1-yn-3-yl)prop-2-enamide
CID 17422725

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The IUPAC name of N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide (CID 8968723) is N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The canonical SMILES for N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The InChIKey is DNMBQPCFSJIZMU-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-28(4-2)21-13-10-19(11-14-21)23(31)26-25-22(30)15-12-20-17-29(27-24-20)16-18-8-6-5-7-9-18/h5-15,17H,3-4,16H2,1-2H3,(H,25,30)(H,26,31)/b15-12+.
What are the key properties of N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide has a molecular weight of 418.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide is sourced from PubChem (CID 8968723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).