3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C15H21N7O2S — CID 154795632

IUPAC3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1nnc(NC(=O)N2CCn3c(C4CCCC4)nnc3C2C)s1
InChIInChI=1S/C15H21N7O2S/c1-9-11-17-18-12(10-5-3-4-6-10)22(11)8-7-21(9)14(23)16-13-19-20-15(24-2)25-13/h9-10H,3-8H2,1-2H3,(H,16,19,23)
InChIKeyGADKKLIIHNSPAL-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.40
Rot. Bonds3

About 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 154795632) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID154795632
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1nnc(NC(=O)N2CCn3c(C4CCCC4)nnc3C2C)s1
InChIInChI=1S/C15H21N7O2S/c1-9-11-17-18-12(10-5-3-4-6-10)22(11)8-7-21(9)14(23)16-13-19-20-15(24-2)25-13/h9-10H,3-8H2,1-2H3,(H,16,19,23)
InChIKeyGADKKLIIHNSPAL-UHFFFAOYSA-N
XLogP2.40
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

3-cyclopentyl-N,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 126803581
(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125138453
3-[(3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)amino]propanoic acid
CID 122018110
3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 139024030
3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 136544363
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
CID 122131614
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333
3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 139000767
(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 95268925
[2-chloro-3-(trifluoromethyl)phenyl]-(3-cyclohexyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118950346
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-9-oxa-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 167773237

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 154795632) is 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is COc1nnc(NC(=O)N2CCn3c(C4CCCC4)nnc3C2C)s1.
What is the InChIKey of 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is GADKKLIIHNSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-9-11-17-18-12(10-5-3-4-6-10)22(11)8-7-21(9)14(23)16-13-19-20-15(24-2)25-13/h9-10H,3-8H2,1-2H3,(H,16,19,23).
What are the key properties of 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 154795632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).