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

C8H16N4O — CID 66001057

IUPAC1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol
SMILESCc1nnc(CC(C)(O)CN)n1C
InChIInChI=1S/C8H16N4O/c1-6-10-11-7(12(6)3)4-8(2,13)5-9/h13H,4-5,9H2,1-3H3
InChIKeyMBMPRVWYGNDYGQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.62
Rot. Bonds3

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

1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol (PubChem CID 66001057) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol
PubChem CID66001057
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol
SMILESCc1nnc(CC(C)(O)CN)n1C
InChIInChI=1S/C8H16N4O/c1-6-10-11-7(12(6)3)4-8(2,13)5-9/h13H,4-5,9H2,1-3H3
InChIKeyMBMPRVWYGNDYGQ-UHFFFAOYSA-N
XLogP-0.62
TPSA76.96 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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol (CID 66001057) is 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol is Cc1nnc(CC(C)(O)CN)n1C.
What is the InChIKey of 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol?
The InChIKey is MBMPRVWYGNDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6-10-11-7(12(6)3)4-8(2,13)5-9/h13H,4-5,9H2,1-3H3.
What are the key properties of 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol?
1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66001057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).