1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide

C14H19N5O — CID 81360225

IUPAC1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2cn(CCN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-12(8-10)11(2)16-14(20)13-9-19(7-6-15)18-17-13/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyFWDQTJJKOGKJAV-NSHDSACASA-N
MW273.34 g/mol
LogP1.04
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 81360225) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
PubChem CID81360225
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1cccc([C@H](C)NC(=O)c2cn(CCN)nn2)c1
InChIInChI=1S/C14H19N5O/c1-10-4-3-5-12(8-10)11(2)16-14(20)13-9-19(7-6-15)18-17-13/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyFWDQTJJKOGKJAV-NSHDSACASA-N
XLogP1.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
CID 115460197
1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 81407262
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
methyl 1-[2-hydroxy-2-(3-methylphenyl)ethyl]triazole-4-carboxylate
CID 56771380
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
1-[1-(2-aminoethyl)triazol-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 116583240
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide (CID 81360225) is 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide is Cc1cccc([C@H](C)NC(=O)c2cn(CCN)nn2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is FWDQTJJKOGKJAV-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-3-5-12(8-10)11(2)16-14(20)13-9-19(7-6-15)18-17-13/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,20)/t11-/m0/s1.
What are the key properties of 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 81360225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).