2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol

C8H10N6O — CID 136872415

IUPAC2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
SMILESNc1cc(-c2nnc(N)n2N)ccc1O
InChIInChI=1S/C8H10N6O/c9-5-3-4(1-2-6(5)15)7-12-13-8(10)14(7)11/h1-3,15H,9,11H2,(H2,10,13)
InChIKeyVZUOWSVIVIBORD-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.47
Rot. Bonds1

About 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol

2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol (PubChem CID 136872415) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
PubChem CID136872415
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
SMILESNc1cc(-c2nnc(N)n2N)ccc1O
InChIInChI=1S/C8H10N6O/c9-5-3-4(1-2-6(5)15)7-12-13-8(10)14(7)11/h1-3,15H,9,11H2,(H2,10,13)
InChIKeyVZUOWSVIVIBORD-UHFFFAOYSA-N
XLogP-0.47
TPSA129.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromo-4-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 81472362
5-(6-bromonaphthalen-2-yl)-1,2,4-triazole-3,4-diamine
CID 113292704
5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine
CID 102444114
2-amino-4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]phenol
CID 136872417
2-amino-4-(2,6-dimethyl-4-pyridinyl)phenol
CID 135755462
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
2-amino-4-(4-amino-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenethiol
CID 176894684
2-amino-4-(2,4-diaminophenyl)phenol
CID 22062032
2-amino-5-(3-amino-4-hydroxyphenyl)phenol;difluoromethane
CID 134204994
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol (CID 136872415) is 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol is Nc1cc(-c2nnc(N)n2N)ccc1O.
What is the InChIKey of 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The InChIKey is VZUOWSVIVIBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-5-3-4(1-2-6(5)15)7-12-13-8(10)14(7)11/h1-3,15H,9,11H2,(H2,10,13).
What are the key properties of 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol has a molecular weight of 206.21 g/mol, XLogP of -0.47, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 136872415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).