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

C16H22N6O2S — CID 7434268

IUPAC4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CSc2nncn2C)cc1
InChIInChI=1S/C16H22N6O2S/c1-4-22(5-2)13-8-6-12(7-9-13)15(24)19-18-14(23)10-25-16-20-17-11-21(16)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyGRNORPRBEPNOST-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.21
Rot. Bonds7

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

4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 7434268) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID7434268
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)CSc2nncn2C)cc1
InChIInChI=1S/C16H22N6O2S/c1-4-22(5-2)13-8-6-12(7-9-13)15(24)19-18-14(23)10-25-16-20-17-11-21(16)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyGRNORPRBEPNOST-UHFFFAOYSA-N
XLogP1.21
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.21
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'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
N-(4-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9075685
4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9092437
N-[3-(N-methylanilino)propyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 16593977
4-fluoro-N'-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 40969712
5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 47093609
N-(3-fluorophenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9072418
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9090007
N-[1-(4-methoxyphenyl)propyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 167756860
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
4-chloro-N'-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 4261050

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (CID 7434268) is 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)CSc2nncn2C)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is GRNORPRBEPNOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-4-22(5-2)13-8-6-12(7-9-13)15(24)19-18-14(23)10-25-16-20-17-11-21(16)3/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 362.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 7434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).