1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol

C9H15N3O — CID 130529389

IUPAC1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1C(C)(O)C1(C)CC1
InChIInChI=1S/C9H15N3O/c1-8(4-5-8)9(2,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyZWVXKUVLBVLCJC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds2

About 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 130529389) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID130529389
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1C(C)(O)C1(C)CC1
InChIInChI=1S/C9H15N3O/c1-8(4-5-8)9(2,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3
InChIKeyZWVXKUVLBVLCJC-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol
CID 131000775
2-Cyclopropyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 14326270
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
3-(1-Ethyl-1,2,4-triazol-3-yl)pentan-3-ol
CID 89334364
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
Cyclopropyl-(1-methyl-1,2,4-triazol-3-yl)methanol
CID 177777411
2-Cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65600369
2-Methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65602483
2,3-Dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65602485
2-Cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 65602486
2,3-Dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65603097

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 130529389) is 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cn1ncnc1C(C)(O)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is ZWVXKUVLBVLCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(4-5-8)9(2,13)7-10-6-11-12(7)3/h6,13H,4-5H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 130529389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).