[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol

C9H17N3O2 — CID 112605942

IUPAC[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1COC(C)C
InChIInChI=1S/C9H17N3O2/c1-4-12-8(5-13)10-11-9(12)6-14-7(2)3/h7,13H,4-6H2,1-3H3
InChIKeyBRHDYBBUUUYXCW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.72
Rot. Bonds5

About [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol

[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 112605942) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID112605942
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1COC(C)C
InChIInChI=1S/C9H17N3O2/c1-4-12-8(5-13)10-11-9(12)6-14-7(2)3/h7,13H,4-6H2,1-3H3
InChIKeyBRHDYBBUUUYXCW-UHFFFAOYSA-N
XLogP0.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397142
[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107944033
1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131
[5-(methoxymethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396085
[4-ethyl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396743
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114282373
[4-ethyl-5-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 113301649
3-(propan-2-yloxymethyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 112602985
7-ethyl-3-(propan-2-yloxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 157019961
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 115396823
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol (CID 112605942) is [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1COC(C)C.
What is the InChIKey of [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is BRHDYBBUUUYXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-12-8(5-13)10-11-9(12)6-14-7(2)3/h7,13H,4-6H2,1-3H3.
What are the key properties of [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 112605942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).