1-(4-azido-3-methoxyphenyl)tetrazole

C8H7N7O — CID 151702595

IUPAC1-(4-azido-3-methoxyphenyl)tetrazole
SMILESCOc1cc(-n2cnnn2)ccc1N=[N+]=[N-]
InChIInChI=1S/C8H7N7O/c1-16-8-4-6(15-5-10-13-14-15)2-3-7(8)11-12-9/h2-5H,1H3
InChIKeyREXPPYPFTUNJMS-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-azido-3-methoxyphenyl)tetrazole

1-(4-azido-3-methoxyphenyl)tetrazole (PubChem CID 151702595) has the molecular formula C8H7N7O and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(4-azido-3-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-azido-3-methoxyphenyl)tetrazole
PubChem CID151702595
Molecular FormulaC8H7N7O
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(4-azido-3-methoxyphenyl)tetrazole
SMILESCOc1cc(-n2cnnn2)ccc1N=[N+]=[N-]
InChIInChI=1S/C8H7N7O/c1-16-8-4-6(15-5-10-13-14-15)2-3-7(8)11-12-9/h2-5H,1H3
InChIKeyREXPPYPFTUNJMS-UHFFFAOYSA-N
XLogP1.61
TPSA101.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
CID 168525253
1-azido-2-methoxy-4-methylbenzene
CID 152671087
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
CID 167816492
1-(7-azido-2,3-dihydro-1,4-benzodioxin-6-yl)tetrazole
CID 169326592
5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 54425378
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131931402
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135758368
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
CID 131949493
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylethanamine
CID 54418332

Frequently Asked Questions

What is the IUPAC name of 1-(4-azido-3-methoxyphenyl)tetrazole?
The IUPAC name of 1-(4-azido-3-methoxyphenyl)tetrazole (CID 151702595) is 1-(4-azido-3-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(4-azido-3-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(4-azido-3-methoxyphenyl)tetrazole is COc1cc(-n2cnnn2)ccc1N=[N+]=[N-].
What is the InChIKey of 1-(4-azido-3-methoxyphenyl)tetrazole?
The InChIKey is REXPPYPFTUNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O/c1-16-8-4-6(15-5-10-13-14-15)2-3-7(8)11-12-9/h2-5H,1H3.
What are the key properties of 1-(4-azido-3-methoxyphenyl)tetrazole?
1-(4-azido-3-methoxyphenyl)tetrazole has a molecular weight of 217.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-3-methoxyphenyl)tetrazole is sourced from PubChem (CID 151702595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).