5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide

C15H18N4O2 — CID 107854489

IUPAC5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-3-10(9-12)7-8-16-15(20)14-17-13(18-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHAYKRCBOZCLEOY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.66
Rot. Bonds6

About 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107854489) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID107854489
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C15H18N4O2/c1-21-12-4-2-3-10(9-12)7-8-16-15(20)14-17-13(18-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHAYKRCBOZCLEOY-UHFFFAOYSA-N
XLogP1.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 107843338
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide (CID 107854489) is 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide is COc1cccc(CCNC(=O)c2n[nH]c(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is HAYKRCBOZCLEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-12-4-2-3-10(9-12)7-8-16-15(20)14-17-13(18-19-14)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107854489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).