N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

C14H18N4O2 — CID 42692720

IUPACN-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOCCCNC(=O)c1ncn(-c2ccccc2C)n1
InChIInChI=1S/C14H18N4O2/c1-11-6-3-4-7-12(11)18-10-16-13(17-18)14(19)15-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,19)
InChIKeyYDGVRQCVPHJKPB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds6

About N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide

N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692720) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692720
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOCCCNC(=O)c1ncn(-c2ccccc2C)n1
InChIInChI=1S/C14H18N4O2/c1-11-6-3-4-7-12(11)18-10-16-13(17-18)14(19)15-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,19)
InChIKeyYDGVRQCVPHJKPB-UHFFFAOYSA-N
XLogP1.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42880898
1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42880908
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 42692695
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 71709929
5-methyl-1-(2-methylphenyl)-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692615
1-(2-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole-3-carboxamide
CID 42692709
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692720) is N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is COCCCNC(=O)c1ncn(-c2ccccc2C)n1.
What is the InChIKey of N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is YDGVRQCVPHJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-6-3-4-7-12(11)18-10-16-13(17-18)14(19)15-8-5-9-20-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,19).
What are the key properties of N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(2-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).