N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide

C9H14N4OS — CID 4623738

IUPACN-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH][nH]c1=S
InChIInChI=1S/C9H14N4OS/c14-8(7-9(15)12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15)
InChIKeyJRUIEVUSJMRVMQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.53
Rot. Bonds2

About N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide

N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide (PubChem CID 4623738) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
PubChem CID4623738
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH][nH]c1=S
InChIInChI=1S/C9H14N4OS/c14-8(7-9(15)12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15)
InChIKeyJRUIEVUSJMRVMQ-UHFFFAOYSA-N
XLogP1.53
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599328
4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
N-cyclohexyl-4-methyl-1,2-oxazole-3-carboxamide
CID 110848900

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide (CID 4623738) is N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide is O=C(NC1CCCCC1)c1n[nH][nH]c1=S.
What is the InChIKey of N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide?
The InChIKey is JRUIEVUSJMRVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-8(7-9(15)12-13-11-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide?
N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide is sourced from PubChem (CID 4623738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).