1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol

C9H17N3O2 — CID 63931525

IUPAC1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cn1nc(C)nc1C
InChIInChI=1S/C9H17N3O2/c1-4-14-6-9(13)5-12-8(3)10-7(2)11-12/h9,13H,4-6H2,1-3H3
InChIKeyIQULCMCBLUEYHH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.29
Rot. Bonds5

About 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol

1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol (PubChem CID 63931525) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol
PubChem CID63931525
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)Cn1nc(C)nc1C
InChIInChI=1S/C9H17N3O2/c1-4-14-6-9(13)5-12-8(3)10-7(2)11-12/h9,13H,4-6H2,1-3H3
InChIKeyIQULCMCBLUEYHH-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1,2,4-triazol-1-yl)propane-1,2-diol
CID 79839285
(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
CID 164639583
N-[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973812
[4-[(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091493
[4-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 1091494
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanoic acid
CID 3162905
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
CID 61345503
1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butan-2-ol
CID 64821649
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 61346900
(2S)-1-[3-(4-bromophenyl)-5-methyl-1,2,4-triazol-1-yl]-3-methoxypropan-2-ol
CID 122135390
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide
CID 39730547

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol (CID 63931525) is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol is CCOCC(O)Cn1nc(C)nc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol?
The InChIKey is IQULCMCBLUEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-14-6-9(13)5-12-8(3)10-7(2)11-12/h9,13H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol?
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).