3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

C24H23N7O2 — CID 24541850

IUPAC3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C24H23N7O2/c1-30(2)21-10-6-9-20(15-21)24(33)27-26-23(32)19-13-11-17(12-14-19)16-31-28-22(25-29-31)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyIJNPNLCKUICPML-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.53
Rot. Bonds6

About 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide

3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (PubChem CID 24541850) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
PubChem CID24541850
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C24H23N7O2/c1-30(2)21-10-6-9-20(15-21)24(33)27-26-23(32)19-13-11-17(12-14-19)16-31-28-22(25-29-31)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyIJNPNLCKUICPML-UHFFFAOYSA-N
XLogP2.53
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46491518
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide (CID 24541850) is 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
The InChIKey is IJNPNLCKUICPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-30(2)21-10-6-9-20(15-21)24(33)27-26-23(32)19-13-11-17(12-14-19)16-31-28-22(25-29-31)18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,32)(H,27,33).
What are the key properties of 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide?
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide has a molecular weight of 441.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide is sourced from PubChem (CID 24541850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).