N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C14H16N4O2 — CID 107127200

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C14H16N4O2/c1-20-14-16-13(17-18-14)15-12(19)11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySZIWAWLLJGOBAX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.56
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127200) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127200
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1
InChIInChI=1S/C14H16N4O2/c1-20-14-16-13(17-18-14)15-12(19)11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySZIWAWLLJGOBAX-UHFFFAOYSA-N
XLogP1.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 83092747
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
CID 83085520
1-ethylsulfonyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 83090467
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104817854
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126694
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127200) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COc1n[nH]c(NC(=O)C2CCc3ccccc3C2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is SZIWAWLLJGOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-14-16-13(17-18-14)15-12(19)11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).