1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol

C10H20N4O — CID 64821444

IUPAC1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol
SMILESCc1nc(C)n(C(C)CC(C)(O)CN)n1
InChIInChI=1S/C10H20N4O/c1-7(5-10(4,15)6-11)14-9(3)12-8(2)13-14/h7,15H,5-6,11H2,1-4H3
InChIKeyUOFNJYHYBQGHBH-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.56
Rot. Bonds4

About 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol

1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol (PubChem CID 64821444) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol
PubChem CID64821444
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol
SMILESCc1nc(C)n(C(C)CC(C)(O)CN)n1
InChIInChI=1S/C10H20N4O/c1-7(5-10(4,15)6-11)14-9(3)12-8(2)13-14/h7,15H,5-6,11H2,1-4H3
InChIKeyUOFNJYHYBQGHBH-UHFFFAOYSA-N
XLogP0.56
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol (CID 64821444) is 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol is Cc1nc(C)n(C(C)CC(C)(O)CN)n1.
What is the InChIKey of 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol?
The InChIKey is UOFNJYHYBQGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(5-10(4,15)6-11)14-9(3)12-8(2)13-14/h7,15H,5-6,11H2,1-4H3.
What are the key properties of 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol?
1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 64821444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).