(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide

C13H17N5O — CID 120873593

IUPAC(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C13H17N5O/c1-9(14)13(19)16-10(2)11-3-5-12(6-4-11)18-8-7-15-17-18/h3-10H,14H2,1-2H3,(H,16,19)/t9-,10?/m1/s1
InChIKeyWUIACRFCMGQUKK-YHMJZVADSA-N
MW259.31 g/mol
LogP0.79
Rot. Bonds4

About (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide

(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 120873593) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID120873593
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C13H17N5O/c1-9(14)13(19)16-10(2)11-3-5-12(6-4-11)18-8-7-15-17-18/h3-10H,14H2,1-2H3,(H,16,19)/t9-,10?/m1/s1
InChIKeyWUIACRFCMGQUKK-YHMJZVADSA-N
XLogP0.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 97244358
6-methyl-2-oxo-N-[1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 71909355
6-methyl-2-oxo-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 97069718
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 97060214
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide (CID 120873593) is (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide is CC(NC(=O)[C@@H](C)N)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is WUIACRFCMGQUKK-YHMJZVADSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(14)13(19)16-10(2)11-3-5-12(6-4-11)18-8-7-15-17-18/h3-10H,14H2,1-2H3,(H,16,19)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide?
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 120873593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).