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

C15H17N5O2S — CID 3217162

IUPACN'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C1CC1
InChIInChI=1S/C15H17N5O2S/c1-20-13(10-7-8-10)17-19-15(20)23-9-12(21)16-18-14(22)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,18,22)
InChIKeyIEDZMLYYCARPTA-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.25
Rot. Bonds5

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

N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 3217162) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID3217162
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
SMILESCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C1CC1
InChIInChI=1S/C15H17N5O2S/c1-20-13(10-7-8-10)17-19-15(20)23-9-12(21)16-18-14(22)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,18,22)
InChIKeyIEDZMLYYCARPTA-UHFFFAOYSA-N
XLogP1.25
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide (CID 3217162) is N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is Cn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C1CC1.
What is the InChIKey of N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is IEDZMLYYCARPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-20-13(10-7-8-10)17-19-15(20)23-9-12(21)16-18-14(22)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,18,22).
What are the key properties of N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide?
N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 331.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 3217162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).