4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

C11H22N4O — CID 64808837

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)n1nc(C)nc1C
InChIInChI=1S/C11H22N4O/c1-8(6-11(4,7-16)12-5)15-10(3)13-9(2)14-15/h8,12,16H,6-7H2,1-5H3
InChIKeyWGAHBEFDOJERRR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.82
Rot. Bonds5

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64808837) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64808837
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)n1nc(C)nc1C
InChIInChI=1S/C11H22N4O/c1-8(6-11(4,7-16)12-5)15-10(3)13-9(2)14-15/h8,12,16H,6-7H2,1-5H3
InChIKeyWGAHBEFDOJERRR-UHFFFAOYSA-N
XLogP0.82
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64808837) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)n1nc(C)nc1C.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is WGAHBEFDOJERRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(6-11(4,7-16)12-5)15-10(3)13-9(2)14-15/h8,12,16H,6-7H2,1-5H3.
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64808837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).