4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

C12H14N6O3S — CID 864614

IUPAC4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H14N6O3S/c1-18-12(15-16-17-18)22-7-10(19)13-14-11(20)8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyKUUSVQRLWRUBQF-UHFFFAOYSA-N
MW322.35 g/mol
LogP-0.23
Rot. Bonds5

About 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 864614) has the molecular formula C12H14N6O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID864614
Molecular FormulaC12H14N6O3S
Molecular Weight322.35 g/mol
Exact Mass322.08
IUPAC Name4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C12H14N6O3S/c1-18-12(15-16-17-18)22-7-10(19)13-14-11(20)8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyKUUSVQRLWRUBQF-UHFFFAOYSA-N
XLogP-0.23
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-benzoic acid N'-[2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 1457141
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxybenzohydrazide
CID 864297
2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
CID 2507045
4-Methoxy-benzoic acid N'-[2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 1457209
5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 2565135
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(4-methoxy-phenyl)-ethanone
CID 649038
4-ethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 669400
4-Methoxy-benzoic acid N'-[2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 1457163
4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814682
N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxybenzamide
CID 4965843
4-Methoxy-benzoic acid N'-[2-(5-cyclopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 1457510

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 864614) is 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is KUUSVQRLWRUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3S/c1-18-12(15-16-17-18)22-7-10(19)13-14-11(20)8-3-5-9(21-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20).
What are the key properties of 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 322.35 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 864614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).