[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate

C16H16N6O3 — CID 58929322

IUPAC[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C16H16N6O3/c1-3-17-16(23)25-13-8-7-11(10-14(13)24-2)22-20-15(19-21-22)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H,17,23)
InChIKeyXWSPJLKLKJPODS-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.84
Rot. Bonds5

About [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate

[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate (PubChem CID 58929322) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate
PubChem CID58929322
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C16H16N6O3/c1-3-17-16(23)25-13-8-7-11(10-14(13)24-2)22-20-15(19-21-22)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H,17,23)
InChIKeyXWSPJLKLKJPODS-UHFFFAOYSA-N
XLogP1.84
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
CID 69152982
1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
2-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pent-4-ynenitrile
CID 89338033
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
CID 71812350
2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
CID 68616100
ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
CID 142231939
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
CID 58929286
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042
4-methoxy-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-pyridin-2-ylbenzamide
CID 99576828
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
2-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridine
CID 10149553

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate?
The IUPAC name of [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate (CID 58929322) is [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate?
The canonical SMILES for [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1OC.
What is the InChIKey of [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate?
The InChIKey is XWSPJLKLKJPODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-3-17-16(23)25-13-8-7-11(10-14(13)24-2)22-20-15(19-21-22)12-6-4-5-9-18-12/h4-10H,3H2,1-2H3,(H,17,23).
What are the key properties of [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate?
[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate has a molecular weight of 340.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 58929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).