phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate

C19H22N6O2 — CID 73389180

IUPACphenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate
SMILESO=C(NCCCCCCn1nnc(-c2ccccn2)n1)Oc1ccccc1
InChIInChI=1S/C19H22N6O2/c26-19(27-16-10-4-3-5-11-16)21-14-7-1-2-9-15-25-23-18(22-24-25)17-12-6-8-13-20-17/h3-6,8,10-13H,1-2,7,9,14-15H2,(H,21,26)
InChIKeyMWSHOIZIJXNIMT-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.08
Rot. Bonds9

About phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate

phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate (PubChem CID 73389180) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate
PubChem CID73389180
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Namephenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate
SMILESO=C(NCCCCCCn1nnc(-c2ccccn2)n1)Oc1ccccc1
InChIInChI=1S/C19H22N6O2/c26-19(27-16-10-4-3-5-11-16)21-14-7-1-2-9-15-25-23-18(22-24-25)17-12-6-8-13-20-17/h3-6,8,10-13H,1-2,7,9,14-15H2,(H,21,26)
InChIKeyMWSHOIZIJXNIMT-UHFFFAOYSA-N
XLogP3.08
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate?
The IUPAC name of phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate (CID 73389180) is phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate.
What is the SMILES notation for phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate?
The canonical SMILES for phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate is O=C(NCCCCCCn1nnc(-c2ccccn2)n1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate?
The InChIKey is MWSHOIZIJXNIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-19(27-16-10-4-3-5-11-16)21-14-7-1-2-9-15-25-23-18(22-24-25)17-12-6-8-13-20-17/h3-6,8,10-13H,1-2,7,9,14-15H2,(H,21,26).
What are the key properties of phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate?
phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate has a molecular weight of 366.43 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(5-pyridin-2-yltetrazol-2-yl)hexyl]carbamate is sourced from PubChem (CID 73389180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).