1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol

C9H17N3O2 — CID 105107171

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1ncnn1C
InChIInChI=1S/C9H17N3O2/c1-7(2)14-5-8(13)4-9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3
InChIKeyPVBSGTUXLNQSAO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.14
Rot. Bonds5

About 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol

1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 105107171) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID105107171
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cc1ncnn1C
InChIInChI=1S/C9H17N3O2/c1-7(2)14-5-8(13)4-9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3
InChIKeyPVBSGTUXLNQSAO-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
3-[(2-methyl-1,2,4-triazol-3-yl)methylsulfanyl]butan-2-ol
CID 103705685
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105107127
1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol (CID 105107171) is 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)Cc1ncnn1C.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is PVBSGTUXLNQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)14-5-8(13)4-9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol?
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 199.25 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 105107171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).