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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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).