(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide

C13H17N5O — CID 103795568

IUPAC(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-3-12(14)13(19)17-10-4-6-11(7-5-10)18-15-8-9-16-18/h4-9,12H,2-3,14H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRKCUKSILLQPDSA-GFCCVEGCSA-N
MW259.31 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide

(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide (PubChem CID 103795568) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
PubChem CID103795568
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-3-12(14)13(19)17-10-4-6-11(7-5-10)18-15-8-9-16-18/h4-9,12H,2-3,14H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyRKCUKSILLQPDSA-GFCCVEGCSA-N
XLogP1.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
(2S)-2-amino-3-methyl-N-[4-(triazol-2-yl)phenyl]butanamide
CID 61154782
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
3-(ethylamino)-2-methyl-N-[4-(triazol-2-yl)phenyl]propanamide
CID 62853616
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 107569286
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide (CID 103795568) is (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide?
The InChIKey is RKCUKSILLQPDSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-3-12(14)13(19)17-10-4-6-11(7-5-10)18-15-8-9-16-18/h4-9,12H,2-3,14H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide?
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide has a molecular weight of 259.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 103795568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).