(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

C14H19N5O — CID 107568474

IUPAC(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C14H19N5O/c1-3-4-12(15)14(20)17-11-7-5-10(6-8-11)13-18-16-9-19(13)2/h5-9,12H,3-4,15H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyDDHSJLGSJVQAMV-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds5

About (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 107568474) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID107568474
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C14H19N5O/c1-3-4-12(15)14(20)17-11-7-5-10(6-8-11)13-18-16-9-19(13)2/h5-9,12H,3-4,15H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyDDHSJLGSJVQAMV-GFCCVEGCSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 104907204
(2R)-2-amino-3,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 103928696
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pentanamide
CID 119279222
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
3-(ethylamino)-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62839702
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686586
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 107568474) is (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is CCC[C@@H](N)C(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is DDHSJLGSJVQAMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-4-12(15)14(20)17-11-7-5-10(6-8-11)13-18-16-9-19(13)2/h5-9,12H,3-4,15H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 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-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 107568474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).