5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C10H11N7S2 — CID 22434223

IUPAC5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1c(C)nc2ncnn2c1Sc1nnc(N)s1
InChIInChI=1S/C10H11N7S2/c1-3-6-5(2)14-9-12-4-13-17(9)7(6)18-10-16-15-8(11)19-10/h4H,3H2,1-2H3,(H2,11,15)
InChIKeyDKGVRTILQBCDPD-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.58
Rot. Bonds3

About 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 22434223) has the molecular formula C10H11N7S2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID22434223
Molecular FormulaC10H11N7S2
Molecular Weight293.38 g/mol
Exact Mass293.05
IUPAC Name5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1c(C)nc2ncnn2c1Sc1nnc(N)s1
InChIInChI=1S/C10H11N7S2/c1-3-6-5(2)14-9-12-4-13-17(9)7(6)18-10-16-15-8(11)19-10/h4H,3H2,1-2H3,(H2,11,15)
InChIKeyDKGVRTILQBCDPD-UHFFFAOYSA-N
XLogP1.58
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

8-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine
CID 1234197
7-Methyl-3-thia-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671277
N,N-dimethyl-2-[5-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylsulfanyl)tetrazol-1-yl]ethanamine;hydrochloride
CID 171346769
5-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 71861366
2-(6-Ethyl-5-fluoropyrimidin-4-yl)sulfanyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86814385
3-[(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133369542
N,N-dimethyl-2-[5-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-ylsulfanyl)tetrazol-1-yl]ethanamine
CID 147014762
5-[(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 46377352
6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl 4H-1,2,4-triazol-3-yl sulfide
CID 2814596
5,6-Dimethyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 13671721
N-tert-butyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142369
N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18150068

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 22434223) is 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CCc1c(C)nc2ncnn2c1Sc1nnc(N)s1.
What is the InChIKey of 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DKGVRTILQBCDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S2/c1-3-6-5(2)14-9-12-4-13-17(9)7(6)18-10-16-15-8(11)19-10/h4H,3H2,1-2H3,(H2,11,15).
What are the key properties of 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 293.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22434223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).