2-amino-4-(2H-tetrazol-5-yl)phenol

C7H7N5O — CID 135648881

IUPAC2-amino-4-(2H-tetrazol-5-yl)phenol
SMILESNc1cc(-c2nn[nH]n2)ccc1O
InChIInChI=1S/C7H7N5O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,8H2,(H,9,10,11,12)
InChIKeyIUSKMTQDKVIDPS-UHFFFAOYSA-N
MW177.17 g/mol
LogP0.15
Rot. Bonds1

About 2-amino-4-(2H-tetrazol-5-yl)phenol

2-amino-4-(2H-tetrazol-5-yl)phenol (PubChem CID 135648881) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-amino-4-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(2H-tetrazol-5-yl)phenol
PubChem CID135648881
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-amino-4-(2H-tetrazol-5-yl)phenol
SMILESNc1cc(-c2nn[nH]n2)ccc1O
InChIInChI=1S/C7H7N5O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,8H2,(H,9,10,11,12)
InChIKeyIUSKMTQDKVIDPS-UHFFFAOYSA-N
XLogP0.15
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 2-amino-4-(2H-tetrazol-5-yl)phenol (CID 135648881) is 2-amino-4-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 2-amino-4-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 2-amino-4-(2H-tetrazol-5-yl)phenol is Nc1cc(-c2nn[nH]n2)ccc1O.
What is the InChIKey of 2-amino-4-(2H-tetrazol-5-yl)phenol?
The InChIKey is IUSKMTQDKVIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,8H2,(H,9,10,11,12).
What are the key properties of 2-amino-4-(2H-tetrazol-5-yl)phenol?
2-amino-4-(2H-tetrazol-5-yl)phenol has a molecular weight of 177.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 135648881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).