2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol

C8H16N4O — CID 130602359

IUPAC2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCNC(C)(C)C(O)c1cn(C)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,9-3)7(13)6-5-12(4)11-10-6/h5,7,9,13H,1-4H3
InChIKeyOCZHOJQOHKNDRW-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.15
Rot. Bonds3

About 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol

2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol (PubChem CID 130602359) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
PubChem CID130602359
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol
SMILESCNC(C)(C)C(O)c1cn(C)nn1
InChIInChI=1S/C8H16N4O/c1-8(2,9-3)7(13)6-5-12(4)11-10-6/h5,7,9,13H,1-4H3
InChIKeyOCZHOJQOHKNDRW-UHFFFAOYSA-N
XLogP-0.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2,2,2-trifluoro-1-(1-methyltriazol-4-yl)ethanol
CID 130602732
(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
CID 96735449
1-(1-methyltriazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130565150
1-methyl-4-[(2S)-3-methylbutan-2-yl]triazole
CID 148834099
2-methoxy-1-(1-methyltriazol-4-yl)propan-1-ol
CID 130602705
3-hydroxy-3-(1-methyltriazol-4-yl)propanal
CID 130599232
4-[(1R)-1-methoxyethyl]-1-methyltriazole
CID 177199900
(2-methylpyrazol-3-yl)-(1-methyltriazol-4-yl)methanol
CID 130521702
furan-3-yl-(1-methyltriazol-4-yl)methanol
CID 130521695
N,N-dimethyl-1-(1-methyltriazol-4-yl)ethane-1,2-diamine
CID 130598801
(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
CID 130603752
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol (CID 130602359) is 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol is CNC(C)(C)C(O)c1cn(C)nn1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol?
The InChIKey is OCZHOJQOHKNDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(2,9-3)7(13)6-5-12(4)11-10-6/h5,7,9,13H,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol?
2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(1-methyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 130602359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).