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

C16H13N7OS — CID 133374371

IUPAC3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESCc1cc(Sc2nnc(-c3ccco3)n2N)nc(-c2cccnc2)n1
InChIInChI=1S/C16H13N7OS/c1-10-8-13(20-14(19-10)11-4-2-6-18-9-11)25-16-22-21-15(23(16)17)12-5-3-7-24-12/h2-9H,17H2,1H3
InChIKeyMPSRPHHIFJSSFW-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.56
Rot. Bonds4

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

3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine (PubChem CID 133374371) has the molecular formula C16H13N7OS and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
PubChem CID133374371
Molecular FormulaC16H13N7OS
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESCc1cc(Sc2nnc(-c3ccco3)n2N)nc(-c2cccnc2)n1
InChIInChI=1S/C16H13N7OS/c1-10-8-13(20-14(19-10)11-4-2-6-18-9-11)25-16-22-21-15(23(16)17)12-5-3-7-24-12/h2-9H,17H2,1H3
InChIKeyMPSRPHHIFJSSFW-UHFFFAOYSA-N
XLogP2.56
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
3-(furan-2-yl)-5-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]-1,2,4-triazol-4-amine
CID 133374365
3-tert-butyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369566
3-ethyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369354
2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanylacetic acid
CID 94077060
3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374328
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7273286
3-(furan-2-yl)-5-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7638270
3-(furan-2-yl)-5-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanyl]-1,2,4-triazol-4-amine
CID 133389082
[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385477
3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 46567685
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593533

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine (CID 133374371) is 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine is Cc1cc(Sc2nnc(-c3ccco3)n2N)nc(-c2cccnc2)n1.
What is the InChIKey of 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is MPSRPHHIFJSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS/c1-10-8-13(20-14(19-10)11-4-2-6-18-9-11)25-16-22-21-15(23(16)17)12-5-3-7-24-12/h2-9H,17H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 351.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133374371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).