4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

C9H10ClN5S — CID 63730609

IUPAC4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1c(Cl)ncnc1Sc1nncn1C
InChIInChI=1S/C9H10ClN5S/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5-15(9)2/h4-5H,3H2,1-2H3
InChIKeyZTVFRVSEZQDEQC-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (PubChem CID 63730609) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
PubChem CID63730609
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
SMILESCCc1c(Cl)ncnc1Sc1nncn1C
InChIInChI=1S/C9H10ClN5S/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5-15(9)2/h4-5H,3H2,1-2H3
InChIKeyZTVFRVSEZQDEQC-UHFFFAOYSA-N
XLogP1.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine (CID 63730609) is 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is CCc1c(Cl)ncnc1Sc1nncn1C.
What is the InChIKey of 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
The InChIKey is ZTVFRVSEZQDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-3-6-7(10)11-4-12-8(6)16-9-14-13-5-15(9)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine?
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine has a molecular weight of 255.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 63730609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).