4-[[4-(tetrazol-1-yl)anilino]methyl]phenol

C14H13N5O — CID 28621639

IUPAC4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H13N5O/c20-14-7-1-11(2-8-14)9-15-12-3-5-13(6-4-12)19-10-16-17-18-19/h1-8,10,15,20H,9H2
InChIKeyFBCQFGZHVXWNLB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.98
Rot. Bonds4

About 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol

4-[[4-(tetrazol-1-yl)anilino]methyl]phenol (PubChem CID 28621639) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
PubChem CID28621639
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H13N5O/c20-14-7-1-11(2-8-14)9-15-12-3-5-13(6-4-12)19-10-16-17-18-19/h1-8,10,15,20H,9H2
InChIKeyFBCQFGZHVXWNLB-UHFFFAOYSA-N
XLogP1.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
CID 28621740
4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 103947423
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
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
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
CID 28621637

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The IUPAC name of 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol (CID 28621639) is 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The canonical SMILES for 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol is Oc1ccc(CNc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
The InChIKey is FBCQFGZHVXWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14-7-1-11(2-8-14)9-15-12-3-5-13(6-4-12)19-10-16-17-18-19/h1-8,10,15,20H,9H2.
What are the key properties of 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol?
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(tetrazol-1-yl)anilino]methyl]phenol is sourced from PubChem (CID 28621639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).