2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol

C15H15N5O2 — CID 133448175

IUPAC2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2nnnn2-c2ccccc2)c1O
InChIInChI=1S/C15H15N5O2/c1-22-13-9-5-6-11(14(13)21)10-16-15-17-18-19-20(15)12-7-3-2-4-8-12/h2-9,21H,10H2,1H3,(H,16,17,19)
InChIKeyHXWUSOVKRPZAFN-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.99
Rot. Bonds5

About 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol

2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol (PubChem CID 133448175) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
PubChem CID133448175
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2nnnn2-c2ccccc2)c1O
InChIInChI=1S/C15H15N5O2/c1-22-13-9-5-6-11(14(13)21)10-16-15-17-18-19-20(15)12-7-3-2-4-8-12/h2-9,21H,10H2,1H3,(H,16,17,19)
InChIKeyHXWUSOVKRPZAFN-UHFFFAOYSA-N
XLogP1.99
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-phenyltetrazol-5-amine
CID 2464221
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
2-methoxy-6-[2-(1-phenyltriazol-4-yl)ethyl]phenol
CID 112718421
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol (CID 133448175) is 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol is COc1cccc(CNc2nnnn2-c2ccccc2)c1O.
What is the InChIKey of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol?
The InChIKey is HXWUSOVKRPZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-22-13-9-5-6-11(14(13)21)10-16-15-17-18-19-20(15)12-7-3-2-4-8-12/h2-9,21H,10H2,1H3,(H,16,17,19).
What are the key properties of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol?
2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol has a molecular weight of 297.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 133448175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).