[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol

C9H17N3O2 — CID 116734428

IUPAC[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCCOC(c1n[nH]c(CO)n1)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-14-8(6(2)3)9-10-7(5-13)11-12-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyAIXPQRPAADWJAL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.03
Rot. Bonds5

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

[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 116734428) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID116734428
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCCOC(c1n[nH]c(CO)n1)C(C)C
InChIInChI=1S/C9H17N3O2/c1-4-14-8(6(2)3)9-10-7(5-13)11-12-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyAIXPQRPAADWJAL-UHFFFAOYSA-N
XLogP1.03
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 116732066
[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol
CID 125449176
[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 64534438
[3-(1-ethoxybutyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116732039
[3-[cyclohexyl(methoxy)methyl]-1H-1,2,4-triazol-5-yl]methanol
CID 116782477
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
CID 153344049
N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731738
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
3-(1-ethoxy-2-methylpropyl)-5-iodo-1,2,4-thiadiazole
CID 102618411
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 17028193
ethyl 3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167960043
3-[(1S)-1-ethoxy-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 177331407

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol (CID 116734428) is [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol is CCOC(c1n[nH]c(CO)n1)C(C)C.
What is the InChIKey of [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is AIXPQRPAADWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-14-8(6(2)3)9-10-7(5-13)11-12-9/h6,8,13H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxy-2-methylpropyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 116734428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).