[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol

C11H17N5OS — CID 66150885

IUPAC[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCCCn1ncnc1CSc1ncc(CO)n1C
InChIInChI=1S/C11H17N5OS/c1-3-4-16-10(13-8-14-16)7-18-11-12-5-9(6-17)15(11)2/h5,8,17H,3-4,6-7H2,1-2H3
InChIKeyHCFVNHUXODYHQZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.21
Rot. Bonds6

About [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol

[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 66150885) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID66150885
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol
SMILESCCCn1ncnc1CSc1ncc(CO)n1C
InChIInChI=1S/C11H17N5OS/c1-3-4-16-10(13-8-14-16)7-18-11-12-5-9(6-17)15(11)2/h5,8,17H,3-4,6-7H2,1-2H3
InChIKeyHCFVNHUXODYHQZ-UHFFFAOYSA-N
XLogP1.21
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149604
[4-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
CID 113371982
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
[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
[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
[2-[(5-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 111536880
[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 [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol (CID 66150885) is [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol is CCCn1ncnc1CSc1ncc(CO)n1C.
What is the InChIKey of [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is HCFVNHUXODYHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-4-16-10(13-8-14-16)7-18-11-12-5-9(6-17)15(11)2/h5,8,17H,3-4,6-7H2,1-2H3.
What are the key properties of [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol?
[3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 267.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 66150885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).