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

C9H18N4O — CID 130529651

IUPAC2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCN(C)C(C)(C)C(O)c1ncnn1C
InChIInChI=1S/C9H18N4O/c1-9(2,12(3)4)7(14)8-10-6-11-13(8)5/h6-7,14H,1-5H3
InChIKeyRULBGWWLMIAXQU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds3

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

2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 130529651) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID130529651
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCN(C)C(C)(C)C(O)c1ncnn1C
InChIInChI=1S/C9H18N4O/c1-9(2,12(3)4)7(14)8-10-6-11-13(8)5/h6-7,14H,1-5H3
InChIKeyRULBGWWLMIAXQU-UHFFFAOYSA-N
XLogP0.19
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130529355
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1,4-dioxan-2-yl-(2-methyl-1,2,4-triazol-3-yl)methanol
CID 130530429
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046201
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol (CID 130529651) is 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol is CN(C)C(C)(C)C(O)c1ncnn1C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is RULBGWWLMIAXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,12(3)4)7(14)8-10-6-11-13(8)5/h6-7,14H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol?
2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 130529651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).