[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C10H15N5OS — CID 66149604

IUPAC[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCCn1ncnc1CSc1ncc(CO)n1C
InChIInChI=1S/C10H15N5OS/c1-3-15-9(12-7-13-15)6-17-10-11-4-8(5-16)14(10)2/h4,7,16H,3,5-6H2,1-2H3
InChIKeyXNUXSCNACKGSHT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.82
Rot. Bonds5

About [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 66149604) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID66149604
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCCn1ncnc1CSc1ncc(CO)n1C
InChIInChI=1S/C10H15N5OS/c1-3-15-9(12-7-13-15)6-17-10-11-4-8(5-16)14(10)2/h4,7,16H,3,5-6H2,1-2H3
InChIKeyXNUXSCNACKGSHT-UHFFFAOYSA-N
XLogP0.82
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66150885
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
CID 107421679
[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
CID 66149423
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66349523
[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66150655
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66151702
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420
[3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]imidazol-4-yl]methanol
CID 82891573
[2-[(2,6-dichloro-3-pyridinyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 106994866

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 66149604) is [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is CCn1ncnc1CSc1ncc(CO)n1C.
What is the InChIKey of [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is XNUXSCNACKGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-15-9(12-7-13-15)6-17-10-11-4-8(5-16)14(10)2/h4,7,16H,3,5-6H2,1-2H3.
What are the key properties of [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 253.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66149604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).