N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide

C20H16N6O2 — CID 9468291

IUPACN'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N6O2/c27-18(13-26-24-19(22-25-26)15-7-2-1-3-8-15)21-23-20(28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,21,27)(H,23,28)
InChIKeyAVNLIMUKUHBSIW-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.95
Rot. Bonds4

About N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide

N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide (PubChem CID 9468291) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
PubChem CID9468291
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N6O2/c27-18(13-26-24-19(22-25-26)15-7-2-1-3-8-15)21-23-20(28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,21,27)(H,23,28)
InChIKeyAVNLIMUKUHBSIW-UHFFFAOYSA-N
XLogP1.95
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.95
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

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N'-naphthalen-2-ylsulfonyl-2-(5-phenyltetrazol-2-yl)acetohydrazide
CID 8505278
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N-(naphthalen-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 75414451
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9274630
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide (CID 9468291) is N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide is O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide?
The InChIKey is AVNLIMUKUHBSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-18(13-26-24-19(22-25-26)15-7-2-1-3-8-15)21-23-20(28)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,21,27)(H,23,28).
What are the key properties of N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide?
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide has a molecular weight of 372.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 9468291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).