N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide

C19H20N6O5 — CID 1164699

IUPACN'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C19H20N6O5/c1-28-14-7-4-12(5-8-14)19(27)22-20-17(26)11-25-23-18(21-24-25)13-6-9-15(29-2)16(10-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,22,27)
InChIKeyPSJNLVGYTZJHKW-UHFFFAOYSA-N
MW412.41 g/mol
LogP0.83
Rot. Bonds7

About N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide

N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide (PubChem CID 1164699) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide
PubChem CID1164699
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC NameN'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C19H20N6O5/c1-28-14-7-4-12(5-8-14)19(27)22-20-17(26)11-25-23-18(21-24-25)13-6-9-15(29-2)16(10-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,22,27)
InChIKeyPSJNLVGYTZJHKW-UHFFFAOYSA-N
XLogP0.83
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-({4-[2-(2-amino-2-oxoethyl)-2H-tetrazol-5-yl]phenoxy}methyl)benzoate
CID 1267536
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-ethoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 649736
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
CID 650134
3,4-dimethoxy-N'-[3-[5-(4-methylphenyl)tetrazol-2-yl]propanoyl]benzohydrazide
CID 1166653
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 2550922
N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide
CID 1166666
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-propoxy-phenyl)-tetrazol-2-yl]-ethanone
CID 646461
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, (phenylmethylene)hydrazide
CID 13482092
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, ((3-hydroxyphenyl)methylene)hydrazide
CID 13482094
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, ((2-methoxyphenyl)methylene)hydrazide
CID 13482095
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 13482096

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide (CID 1164699) is N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide?
The InChIKey is PSJNLVGYTZJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-28-14-7-4-12(5-8-14)19(27)22-20-17(26)11-25-23-18(21-24-25)13-6-9-15(29-2)16(10-13)30-3/h4-10H,11H2,1-3H3,(H,20,26)(H,22,27).
What are the key properties of N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide?
N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide has a molecular weight of 412.41 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 1164699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).