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

CID 1457141
CID 1457141
CID 660181
CID 660181
CID 864297
CID 864297
CID 2507045
CID 2507045
CID 1457209
CID 1457209
CID 2565135
CID 2565135
CID 649038
CID 649038
CID 669400
CID 669400
CID 1457163
CID 1457163
CID 814682
CID 814682
CID 4965843
CID 4965843
CID 1457510
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).