2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol

C11H22N4O — CID 107057685

IUPAC2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C11H22N4O/c1-9(2)6-12-8-11(3,16)5-10-7-15(4)14-13-10/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyFKQVGLNXWOKSIG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.35
Rot. Bonds6

About 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol

2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107057685) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107057685
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cn(C)nn1
InChIInChI=1S/C11H22N4O/c1-9(2)6-12-8-11(3,16)5-10-7-15(4)14-13-10/h7,9,12,16H,5-6,8H2,1-4H3
InChIKeyFKQVGLNXWOKSIG-UHFFFAOYSA-N
XLogP0.35
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2-methyl-1-(2-methylpropylamino)-3-quinolin-2-ylpropan-2-ol
CID 66037759
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107057685) is 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol is CC(C)CNCC(C)(O)Cc1cn(C)nn1.
What is the InChIKey of 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is FKQVGLNXWOKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(2)6-12-8-11(3,16)5-10-7-15(4)14-13-10/h7,9,12,16H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol?
2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107057685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).