4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol

C10H20N4O — CID 62755459

IUPAC4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1cn(C)nn1
InChIInChI=1S/C10H20N4O/c1-8(2)4-9(7-15)11-5-10-6-14(3)13-12-10/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyXWEYJVISSPDFNA-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.31
Rot. Bonds6

About 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol

4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol (PubChem CID 62755459) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol
PubChem CID62755459
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1cn(C)nn1
InChIInChI=1S/C10H20N4O/c1-8(2)4-9(7-15)11-5-10-6-14(3)13-12-10/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeyXWEYJVISSPDFNA-UHFFFAOYSA-N
XLogP0.31
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol (CID 62755459) is 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol is CC(C)CC(CO)NCc1cn(C)nn1.
What is the InChIKey of 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is XWEYJVISSPDFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(2)4-9(7-15)11-5-10-6-14(3)13-12-10/h6,8-9,11,15H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol?
4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 62755459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).