N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide

C11H18N4O2S — CID 3232071

IUPACN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCO2)nnc1SC
InChIInChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeySTNGMDNHSQNFKL-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.82
Rot. Bonds5

About N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide

N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 3232071) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
PubChem CID3232071
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
SMILESCCn1c(CNC(=O)C2CCCO2)nnc1SC
InChIInChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeySTNGMDNHSQNFKL-UHFFFAOYSA-N
XLogP0.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide (CID 3232071) is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide is CCn1c(CNC(=O)C2CCCO2)nnc1SC.
What is the InChIKey of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
The InChIKey is STNGMDNHSQNFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-15-9(13-14-11(15)18-2)7-12-10(16)8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide?
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 3232071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).