N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C12H14N4OS — CID 1245136

IUPACN-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESO=C(Nn1cnnc1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C12H14N4OS/c17-12(15-16-7-13-14-8-16)11-6-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,15,17)
InChIKeyCXWWUJNVIVTUIE-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.99
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 1245136) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID1245136
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESO=C(Nn1cnnc1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C12H14N4OS/c17-12(15-16-7-13-14-8-16)11-6-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,15,17)
InChIKeyCXWWUJNVIVTUIE-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-4H-1,2,4-triazol-4-yl-1-benzothiophene-3-carboxamide
CID 1246153
N-(4H-1,2,4-Triazol-4-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
CID 1247433
5-methyl-4-phenyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1246306
5-methyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1244080
N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 573754
N-4H-1,2,4-triazol-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970229
4-bromo-5-ethyl-N-(1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 1246281
5-methyl-N-(4H-1,2,4-triazol-4-yl)thiophene-2-carboxamide
CID 2971281
4-methyl-5-phenyl-N-4H-1,2,4-triazol-4-yl-2-thiophenecarboxamide
CID 2971392
5-propyl-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 44205083
(5-Amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 141066608
2-ethylsulfanyl-N-(1,2,4-triazol-4-yl)benzamide
CID 4475060

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 1245136) is N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is O=C(Nn1cnnc1)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is CXWWUJNVIVTUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(15-16-7-13-14-8-16)11-6-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,15,17).
What are the key properties of N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 1245136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).