3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

C18H17N7OS — CID 133374376

IUPAC3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCCc1cc(Sc2nnc(-c3ccoc3C)n2N)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N7OS/c1-3-12-10-15(22-16(21-12)14-6-4-5-8-20-14)27-18-24-23-17(25(18)19)13-7-9-26-11(13)2/h4-10H,3,19H2,1-2H3
InChIKeyOBXVYWLAHGFURD-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.13
Rot. Bonds5

About 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (PubChem CID 133374376) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
PubChem CID133374376
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCCc1cc(Sc2nnc(-c3ccoc3C)n2N)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17N7OS/c1-3-12-10-15(22-16(21-12)14-6-4-5-8-20-14)27-18-24-23-17(25(18)19)13-7-9-26-11(13)2/h4-10H,3,19H2,1-2H3
InChIKeyOBXVYWLAHGFURD-UHFFFAOYSA-N
XLogP3.13
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine with MolForge

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Related Compounds

6-(2-Methylfuran-3-yl)-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52899556
6-(2-Methylfuran-3-yl)-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52901374
N,N-diethyl-3-[3-(furan-2-yl)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-yl]propan-1-amine
CID 70693484
2-(4-(Furan-2-ylmethyl)-5-((pyridin-4-ylmethyl)thio)-4h-1,2,4-triazol-3-yl)pyridine
CID 71516082
3-(2-Methylfuran-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163965
2-[[4-Methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
CID 17424311
4-[[4-Methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
CID 24566572
4-[[4-Ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
CID 24567135
2-(Difluoromethyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 60262984
N-(furan-2-ylmethyl)-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 60275767
4-[[4-Methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 60276041
N-(furan-2-ylmethyl)-5-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 60329528

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (CID 133374376) is 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is CCc1cc(Sc2nnc(-c3ccoc3C)n2N)nc(-c2ccccn2)n1.
What is the InChIKey of 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The InChIKey is OBXVYWLAHGFURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-3-12-10-15(22-16(21-12)14-6-4-5-8-20-14)27-18-24-23-17(25(18)19)13-7-9-26-11(13)2/h4-10H,3,19H2,1-2H3.
What are the key properties of 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine has a molecular weight of 379.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 133374376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).