N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide

C15H15N5O4S — CID 1460465

IUPACN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1
InChIInChI=1S/C15H15N5O4S/c1-2-20-13(10-5-3-7-23-10)17-19-15(20)25-9-12(21)16-18-14(22)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22)
InChIKeyIOHAZXNQEYUTDU-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.70
Rot. Bonds6

About N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide

N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 1460465) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID1460465
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC NameN'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1
InChIInChI=1S/C15H15N5O4S/c1-2-20-13(10-5-3-7-23-10)17-19-15(20)25-9-12(21)16-18-14(22)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22)
InChIKeyIOHAZXNQEYUTDU-UHFFFAOYSA-N
XLogP1.70
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide (CID 1460465) is N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide is CCn1c(SCC(=O)NNC(=O)c2ccco2)nnc1-c1ccco1.
What is the InChIKey of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is IOHAZXNQEYUTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-2-20-13(10-5-3-7-23-10)17-19-15(20)25-9-12(21)16-18-14(22)11-6-4-8-24-11/h3-8H,2,9H2,1H3,(H,16,21)(H,18,22).
What are the key properties of N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 361.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1460465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).