5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

C19H21N5O3 — CID 2135887

IUPAC5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1
InChIInChI=1S/C19H21N5O3/c1-12-7-8-16(27-3)15(9-12)21-19(25)17-18(20)24(23-22-17)11-13-5-4-6-14(10-13)26-2/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyVDZHYYUWCDMAPW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.49
Rot. Bonds6

About 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 2135887) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID2135887
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1
InChIInChI=1S/C19H21N5O3/c1-12-7-8-16(27-3)15(9-12)21-19(25)17-18(20)24(23-22-17)11-13-5-4-6-14(10-13)26-2/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKeyVDZHYYUWCDMAPW-UHFFFAOYSA-N
XLogP2.49
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide (CID 2135887) is 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is COc1cccc(Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)c1.
What is the InChIKey of 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is VDZHYYUWCDMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-7-8-16(27-3)15(9-12)21-19(25)17-18(20)24(23-22-17)11-13-5-4-6-14(10-13)26-2/h4-10H,11,20H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxy-5-methylphenyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 2135887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).