N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide

C23H19N7O2 — CID 91007022

IUPACN-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCC1=Nc2nnnn2C(c2cccc3ccccc23)C1C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C23H19N7O2/c1-14-19(22(32)29(24)21(31)16-9-3-2-4-10-16)20(30-23(25-14)26-27-28-30)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,24H2,1H3
InChIKeyPNGKQNWSQBQHMT-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.68
Rot. Bonds3

About N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide

N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide (PubChem CID 91007022) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide
PubChem CID91007022
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCC1=Nc2nnnn2C(c2cccc3ccccc23)C1C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C23H19N7O2/c1-14-19(22(32)29(24)21(31)16-9-3-2-4-10-16)20(30-23(25-14)26-27-28-30)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,24H2,1H3
InChIKeyPNGKQNWSQBQHMT-UHFFFAOYSA-N
XLogP2.68
TPSA119.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The IUPAC name of N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide (CID 91007022) is N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide is CC1=Nc2nnnn2C(c2cccc3ccccc23)C1C(=O)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The InChIKey is PNGKQNWSQBQHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-14-19(22(32)29(24)21(31)16-9-3-2-4-10-16)20(30-23(25-14)26-27-28-30)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19-20H,24H2,1H3.
What are the key properties of N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide?
N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide has a molecular weight of 425.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-5-methyl-7-naphthalen-1-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 91007022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).