[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

C11H14ClN5OS — CID 133384677

IUPAC[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Sc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H14ClN5OS/c1-3-4-17-9(6-18)15-16-11(17)19-10-5-8(12)13-7(2)14-10/h5,18H,3-4,6H2,1-2H3
InChIKeySIPFSEYCEWAXBN-UHFFFAOYSA-N
MW299.79 g/mol
LogP2.08
Rot. Bonds5

About [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 133384677) has the molecular formula C11H14ClN5OS and a molecular weight of 299.79 g/mol. Its IUPAC name is [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID133384677
Molecular FormulaC11H14ClN5OS
Molecular Weight299.79 g/mol
Exact Mass299.06
IUPAC Name[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Sc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H14ClN5OS/c1-3-4-17-9(6-18)15-16-11(17)19-10-5-8(12)13-7(2)14-10/h5,18H,3-4,6H2,1-2H3
InChIKeySIPFSEYCEWAXBN-UHFFFAOYSA-N
XLogP2.08
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

[5-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 133384683
[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
CID 133384706
[5-(5-chloro-2-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 82891451
[4-propyl-5-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396767
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[5-[(2-methylsulfanylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 110027206
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396870
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 71995792
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301704
[2-(6-ethyl-2-methylpyrimidin-4-yl)sulfanyl-3-methylimidazol-4-yl]methanol
CID 66150710
[5-(4-chloro-2,5-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 82774698

Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (CID 133384677) is [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1Sc1cc(Cl)nc(C)n1.
What is the InChIKey of [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is SIPFSEYCEWAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5OS/c1-3-4-17-9(6-18)15-16-11(17)19-10-5-8(12)13-7(2)14-10/h5,18H,3-4,6H2,1-2H3.
What are the key properties of [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 299.79 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 133384677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).