5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide

C19H21N5O2 — CID 41091338

IUPAC5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NC[C@H](C)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H21N5O2/c1-13(14-6-4-3-5-7-14)12-21-19(25)17-18(20)24(23-22-17)15-8-10-16(26-2)11-9-15/h3-11,13H,12,20H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeySCANIBBGZLKGGL-ZDUSSCGKSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds6

About 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide

5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide (PubChem CID 41091338) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
PubChem CID41091338
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NC[C@H](C)c3ccccc3)c2N)cc1
InChIInChI=1S/C19H21N5O2/c1-13(14-6-4-3-5-7-14)12-21-19(25)17-18(20)24(23-22-17)15-8-10-16(26-2)11-9-15/h3-11,13H,12,20H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeySCANIBBGZLKGGL-ZDUSSCGKSA-N
XLogP2.39
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
5-amino-1-phenyl-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27260956
5-amino-N-[(3-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 4081975
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
CID 95146500
(6S)-6-(4-methoxyphenyl)-N-[(2S)-2-phenylpropyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125126799

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide (CID 41091338) is 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)NC[C@H](C)c3ccccc3)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide?
The InChIKey is SCANIBBGZLKGGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(14-6-4-3-5-7-14)12-21-19(25)17-18(20)24(23-22-17)15-8-10-16(26-2)11-9-15/h3-11,13H,12,20H2,1-2H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide?
5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 41091338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).