3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

C10H10ClN5OS — CID 62883075

IUPAC3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESCc1nc(Cl)cc(Sc2n[nH]c(=O)n2C2CC2)n1
InChIInChI=1S/C10H10ClN5OS/c1-5-12-7(11)4-8(13-5)18-10-15-14-9(17)16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,14,17)
InChIKeyBISYACQOYCPUSO-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.81
Rot. Bonds3

About 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 62883075) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID62883075
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESCc1nc(Cl)cc(Sc2n[nH]c(=O)n2C2CC2)n1
InChIInChI=1S/C10H10ClN5OS/c1-5-12-7(11)4-8(13-5)18-10-15-14-9(17)16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,14,17)
InChIKeyBISYACQOYCPUSO-UHFFFAOYSA-N
XLogP1.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one (CID 62883075) is 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one is Cc1nc(Cl)cc(Sc2n[nH]c(=O)n2C2CC2)n1.
What is the InChIKey of 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is BISYACQOYCPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-5-12-7(11)4-8(13-5)18-10-15-14-9(17)16(10)6-2-3-6/h4,6H,2-3H2,1H3,(H,14,17).
What are the key properties of 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one?
3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 283.74 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).