N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C10H13N5OS — CID 110384580

IUPACN-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NC1CCCCC1)c1nn2cnnc2s1
InChIInChI=1S/C10H13N5OS/c16-8(12-7-4-2-1-3-5-7)9-14-15-6-11-13-10(15)17-9/h6-7H,1-5H2,(H,12,16)
InChIKeyNZZQFZPMMCPYII-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.25
Rot. Bonds2

About N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384580) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384580
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(NC1CCCCC1)c1nn2cnnc2s1
InChIInChI=1S/C10H13N5OS/c16-8(12-7-4-2-1-3-5-7)9-14-15-6-11-13-10(15)17-9/h6-7H,1-5H2,(H,12,16)
InChIKeyNZZQFZPMMCPYII-UHFFFAOYSA-N
XLogP1.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384620
1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
CID 110401716
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
5-N-cycloheptyl-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353871
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384611
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
N-cycloheptylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110855502
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
5-N-cycloheptyl-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353630
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384580) is N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(NC1CCCCC1)c1nn2cnnc2s1.
What is the InChIKey of N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is NZZQFZPMMCPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c16-8(12-7-4-2-1-3-5-7)9-14-15-6-11-13-10(15)17-9/h6-7H,1-5H2,(H,12,16).
What are the key properties of N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).