5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide

C15H21N5O2 — CID 169402966

IUPAC5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCCN(CC)Cc1cc(-c2n[nH]nc2C(N)=O)ccc1OC
InChIInChI=1S/C15H21N5O2/c1-4-20(5-2)9-11-8-10(6-7-12(11)22-3)13-14(15(16)21)18-19-17-13/h6-8H,4-5,9H2,1-3H3,(H2,16,21)(H,17,18,19)
InChIKeyOGDDPKDIIXVMJY-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.42
Rot. Bonds7

About 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide

5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide (PubChem CID 169402966) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
PubChem CID169402966
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
SMILESCCN(CC)Cc1cc(-c2n[nH]nc2C(N)=O)ccc1OC
InChIInChI=1S/C15H21N5O2/c1-4-20(5-2)9-11-8-10(6-7-12(11)22-3)13-14(15(16)21)18-19-17-13/h6-8H,4-5,9H2,1-3H3,(H2,16,21)(H,17,18,19)
InChIKeyOGDDPKDIIXVMJY-UHFFFAOYSA-N
XLogP1.42
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(diethylaminomethyl)-4-propoxyphenyl]-2H-triazole-4-carboxamide
CID 169403131
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272
5-(3-ethoxy-4-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402032
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxybenzoate
CID 169402123
5-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402819
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
5-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402986
5-[3-(3-fluoro-4-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169403048
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
ethyl 4-[5-(5-carbamoyl-2H-triazol-4-yl)-2-methoxyphenoxy]butanoate
CID 169403958

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide (CID 169402966) is 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide is CCN(CC)Cc1cc(-c2n[nH]nc2C(N)=O)ccc1OC.
What is the InChIKey of 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
The InChIKey is OGDDPKDIIXVMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-20(5-2)9-11-8-10(6-7-12(11)22-3)13-14(15(16)21)18-19-17-13/h6-8H,4-5,9H2,1-3H3,(H2,16,21)(H,17,18,19).
What are the key properties of 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide?
5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylaminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).