3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide

C18H18N6O2 — CID 9468283

IUPAC3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-16(12-11-14-7-3-1-4-8-14)19-20-17(26)13-24-22-18(21-23-24)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,25)(H,20,26)
InChIKeyBGIZFAZPUGJXRN-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.12
Rot. Bonds6

About 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide

3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide (PubChem CID 9468283) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
PubChem CID9468283
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-16(12-11-14-7-3-1-4-8-14)19-20-17(26)13-24-22-18(21-23-24)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,25)(H,20,26)
InChIKeyBGIZFAZPUGJXRN-UHFFFAOYSA-N
XLogP1.12
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9274630
1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea
CID 8626187
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide?
The IUPAC name of 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide (CID 9468283) is 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide is O=C(CCc1ccccc1)NNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide?
The InChIKey is BGIZFAZPUGJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-16(12-11-14-7-3-1-4-8-14)19-20-17(26)13-24-22-18(21-23-24)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,25)(H,20,26).
What are the key properties of 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide?
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide has a molecular weight of 350.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide is sourced from PubChem (CID 9468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).