[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate

C23H23N7O2 — CID 122635642

IUPAC[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NC(C)c2cccnn2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H23N7O2/c1-4-22-27-28-29-30(22)19-12-18(17-9-7-15(2)8-10-17)13-20(14-19)32-23(31)25-16(3)21-6-5-11-24-26-21/h5-14,16H,4H2,1-3H3,(H,25,31)
InChIKeyAIVDFVCWKRBUNG-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.84
Rot. Bonds6

About [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate

[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate (PubChem CID 122635642) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate.

Molecular Properties

Compound Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
PubChem CID122635642
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate
SMILESCCc1nnnn1-c1cc(OC(=O)NC(C)c2cccnn2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C23H23N7O2/c1-4-22-27-28-29-30(22)19-12-18(17-9-7-15(2)8-10-17)13-20(14-19)32-23(31)25-16(3)21-6-5-11-24-26-21/h5-14,16H,4H2,1-3H3,(H,25,31)
InChIKeyAIVDFVCWKRBUNG-UHFFFAOYSA-N
XLogP3.84
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate?
The IUPAC name of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate (CID 122635642) is [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate.
What is the SMILES notation for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate?
The canonical SMILES for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate is CCc1nnnn1-c1cc(OC(=O)NC(C)c2cccnn2)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate?
The InChIKey is AIVDFVCWKRBUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-4-22-27-28-29-30(22)19-12-18(17-9-7-15(2)8-10-17)13-20(14-19)32-23(31)25-16(3)21-6-5-11-24-26-21/h5-14,16H,4H2,1-3H3,(H,25,31).
What are the key properties of [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate?
[3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate has a molecular weight of 429.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)phenyl] N-(1-pyridazin-3-ylethyl)carbamate is sourced from PubChem (CID 122635642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).