1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol

C6H12N4O — CID 165463377

IUPAC1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc(N)n1
InChIInChI=1S/C6H12N4O/c1-6(2,11)4-10-8-3-5(7)9-10/h3,11H,4H2,1-2H3,(H2,7,9)
InChIKeyOVTRMBRHRXITRG-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.37
Rot. Bonds2

About 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol

1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol (PubChem CID 165463377) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
PubChem CID165463377
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc(N)n1
InChIInChI=1S/C6H12N4O/c1-6(2,11)4-10-8-3-5(7)9-10/h3,11H,4H2,1-2H3,(H2,7,9)
InChIKeyOVTRMBRHRXITRG-UHFFFAOYSA-N
XLogP-0.37
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol (CID 165463377) is 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1ncc(N)n1.
What is the InChIKey of 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is OVTRMBRHRXITRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(2,11)4-10-8-3-5(7)9-10/h3,11H,4H2,1-2H3,(H2,7,9).
What are the key properties of 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol?
1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 156.19 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 165463377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).