[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C9H17N3O2 — CID 103022875

IUPAC[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C
InChIInChI=1S/C9H17N3O2/c1-9(2,14-4)5-7-10-11-8(6-13)12(7)3/h13H,5-6H2,1-4H3
InChIKeyFSGAIHLIOYMTHF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.27
Rot. Bonds4

About [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103022875) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID103022875
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)Cc1nnc(CO)n1C
InChIInChI=1S/C9H17N3O2/c1-9(2,14-4)5-7-10-11-8(6-13)12(7)3/h13H,5-6H2,1-4H3
InChIKeyFSGAIHLIOYMTHF-UHFFFAOYSA-N
XLogP0.27
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 103213629
[4-(2-Methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213630
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103213637
[4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213638
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103213640
[4-Propyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213641
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103213642
[4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213643
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103213645
[4-(2-Methylpropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213646

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 103022875) is [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol is COC(C)(C)Cc1nnc(CO)n1C.
What is the InChIKey of [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is FSGAIHLIOYMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,14-4)5-7-10-11-8(6-13)12(7)3/h13H,5-6H2,1-4H3.
What are the key properties of [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).