4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol

C14H13N5O2 — CID 28621740

IUPAC4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2ccc(-n3cnnn3)cc2)c(O)c1
InChIInChI=1S/C14H13N5O2/c20-13-6-1-10(14(21)7-13)8-15-11-2-4-12(5-3-11)19-9-16-17-18-19/h1-7,9,15,20-21H,8H2
InChIKeyDIXFZPLTVXOIKV-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.69
Rot. Bonds4

About 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol

4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol (PubChem CID 28621740) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
PubChem CID28621740
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNc2ccc(-n3cnnn3)cc2)c(O)c1
InChIInChI=1S/C14H13N5O2/c20-13-6-1-10(14(21)7-13)8-15-11-2-4-12(5-3-11)19-9-16-17-18-19/h1-7,9,15,20-21H,8H2
InChIKeyDIXFZPLTVXOIKV-UHFFFAOYSA-N
XLogP1.69
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 103947423
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
CID 28621637
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43681979
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
5-[(2,4-dihydroxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 54864095

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol (CID 28621740) is 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol is Oc1ccc(CNc2ccc(-n3cnnn3)cc2)c(O)c1.
What is the InChIKey of 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol?
The InChIKey is DIXFZPLTVXOIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-13-6-1-10(14(21)7-13)8-15-11-2-4-12(5-3-11)19-9-16-17-18-19/h1-7,9,15,20-21H,8H2.
What are the key properties of 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol?
4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol has a molecular weight of 283.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol is sourced from PubChem (CID 28621740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).