2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol

C9H17N3O — CID 130758261

IUPAC2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1nncn1C
InChIInChI=1S/C9H17N3O/c1-5-9(2,3)7(13)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3
InChIKeyASPQVVYXHKDEHW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.28
Rot. Bonds3

About 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol

2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol (PubChem CID 130758261) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
PubChem CID130758261
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1nncn1C
InChIInChI=1S/C9H17N3O/c1-5-9(2,3)7(13)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3
InChIKeyASPQVVYXHKDEHW-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
CID 81412437
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2-(ethylamino)-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 62833078
4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 131183317
2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol (CID 130758261) is 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol is CCC(C)(C)C(O)c1nncn1C.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol?
The InChIKey is ASPQVVYXHKDEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-9(2,3)7(13)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol?
2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol is sourced from PubChem (CID 130758261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).