1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol

C10H14N4O2 — CID 65103255

IUPAC1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(N)c2nonc12
InChIInChI=1S/C10H14N4O2/c1-10(2,15)5-12-7-4-3-6(11)8-9(7)14-16-13-8/h3-4,12,15H,5,11H2,1-2H3
InChIKeyNXKZMRYTIYLAOW-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.99
Rot. Bonds3

About 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol

1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 65103255) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol
PubChem CID65103255
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(N)c2nonc12
InChIInChI=1S/C10H14N4O2/c1-10(2,15)5-12-7-4-3-6(11)8-9(7)14-16-13-8/h3-4,12,15H,5,11H2,1-2H3
InChIKeyNXKZMRYTIYLAOW-UHFFFAOYSA-N
XLogP0.99
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150973
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-N-tert-butylacetamide
CID 115356002
4-N-(3-methylbutyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518467
4-[2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]ethyl]phenol
CID 61237096
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,1,3-benzoxadiazole-4,7-diamine
CID 114515011
3-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-1,1-difluoropropan-2-ol
CID 114093028
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]ethylurea
CID 83116182
2,1,3-benzoxadiazole-4,7-diamine
CID 591590
4-N-(3-cyclopentylpropyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 106007188
4-N-(1H-pyrazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 54982283
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]ethanesulfonamide
CID 43551602
4-N-(cyclohexylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518623

Frequently Asked Questions

What is the IUPAC name of 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol (CID 65103255) is 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(N)c2nonc12.
What is the InChIKey of 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is NXKZMRYTIYLAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(2,15)5-12-7-4-3-6(11)8-9(7)14-16-13-8/h3-4,12,15H,5,11H2,1-2H3.
What are the key properties of 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol?
1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 222.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).