5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide

C13H14ClN5O3S — CID 4779955

IUPAC5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nncn1C
InChIInChI=1S/C13H14ClN5O3S/c1-19-7-15-18-13(19)23-6-11(20)16-17-12(21)9-5-8(14)3-4-10(9)22-2/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyOQIKUOMETCCREY-UHFFFAOYSA-N
MW355.81 g/mol
LogP1.03
Rot. Bonds5

About 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide

5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 4779955) has the molecular formula C13H14ClN5O3S and a molecular weight of 355.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID4779955
Molecular FormulaC13H14ClN5O3S
Molecular Weight355.81 g/mol
Exact Mass355.05
IUPAC Name5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nncn1C
InChIInChI=1S/C13H14ClN5O3S/c1-19-7-15-18-13(19)23-6-11(20)16-17-12(21)9-5-8(14)3-4-10(9)22-2/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyOQIKUOMETCCREY-UHFFFAOYSA-N
XLogP1.03
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 51.03
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

2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
5-chloro-2-methoxy-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 2565135
2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
CID 2628255
5-chloro-N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)-2-methoxybenzamide
CID 16031371
(5-chloro-2-methoxyphenyl)(4-((4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl)piperidin-1-yl)methanone
CID 71809061
5-chloro-N'-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxybenzohydrazide
CID 16496284
N'-[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-5-chloro-2-methoxybenzohydrazide
CID 18205971
5-chloro-2-methoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 975491
5-chloro-N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-2-methoxybenzamide
CID 27443749
5-chloro-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-methoxybenzamide
CID 952410
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 2500855

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (CID 4779955) is 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nncn1C.
What is the InChIKey of 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is OQIKUOMETCCREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O3S/c1-19-7-15-18-13(19)23-6-11(20)16-17-12(21)9-5-8(14)3-4-10(9)22-2/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 355.81 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 4779955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).