N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H19N5O2 — CID 136570665

IUPACN-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H19N5O2/c1-22-9-8-20-15(17-18-19-20)16-14(21)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13H,6-10H2,1H3,(H,16,17,19,21)
InChIKeyKKTKUSYGZGCUKJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.06
Rot. Bonds5

About N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 136570665) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID136570665
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H19N5O2/c1-22-9-8-20-15(17-18-19-20)16-14(21)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13H,6-10H2,1H3,(H,16,17,19,21)
InChIKeyKKTKUSYGZGCUKJ-UHFFFAOYSA-N
XLogP1.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-(1-propyl(1,2,3,4-tetraazol-5-yl))acetamide
CID 960201
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127207
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 127842980
N-[1-(2-methoxyethyl)tetrazol-5-yl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 136570666
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 145879180
N-(1-cyclopropyltetrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 154786590
N-[1-(2-methoxyethyl)tetrazol-5-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 167809358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 136570665) is N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COCCn1nnnc1NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KKTKUSYGZGCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-9-8-20-15(17-18-19-20)16-14(21)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13H,6-10H2,1H3,(H,16,17,19,21).
What are the key properties of N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 136570665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).