N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide

C18H19N5O — CID 5071113

IUPACN'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide
SMILESCC(=Cn1nnc2ccccc21)NNC(=O)CCc1ccccc1
InChIInChI=1S/C18H19N5O/c1-14(13-23-17-10-6-5-9-16(17)20-22-23)19-21-18(24)12-11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3,(H,21,24)
InChIKeyDMDFFGJRCVZGCY-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds6

About N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide

N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide (PubChem CID 5071113) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide
PubChem CID5071113
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide
SMILESCC(=Cn1nnc2ccccc21)NNC(=O)CCc1ccccc1
InChIInChI=1S/C18H19N5O/c1-14(13-23-17-10-6-5-9-16(17)20-22-23)19-21-18(24)12-11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3,(H,21,24)
InChIKeyDMDFFGJRCVZGCY-UHFFFAOYSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-(benzotriazol-1-yl)-4-phenylbut-1-en-2-yl] trifluoromethanesulfonate
CID 6297128
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8627449
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
1-(2-butylsulfanylnon-1-enyl)benzotriazole
CID 3334308
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[(3-phenylpropanoylamino)carbamothioyl]pentanamide
CID 2301863
phenol;4-phenylbutan-2-one
CID 160537429
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea
CID 24818621
4-phenylbutan-2-one;prop-1-ene
CID 166128425

Frequently Asked Questions

What is the IUPAC name of N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide (CID 5071113) is N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide is CC(=Cn1nnc2ccccc21)NNC(=O)CCc1ccccc1.
What is the InChIKey of N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide?
The InChIKey is DMDFFGJRCVZGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14(13-23-17-10-6-5-9-16(17)20-22-23)19-21-18(24)12-11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3,(H,21,24).
What are the key properties of N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide?
N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide is sourced from PubChem (CID 5071113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).