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

C15H21N5O — CID 120596588

IUPAC2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-18-19-13(20)9-17-14(21)15(3,16)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3,(H,17,21)
InChIKeyPQOBDZGLRINOHS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.35
Rot. Bonds5

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

2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 120596588) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID120596588
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-11(2)20-10-18-19-13(20)9-17-14(21)15(3,16)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3,(H,17,21)
InChIKeyPQOBDZGLRINOHS-UHFFFAOYSA-N
XLogP1.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanamide;dihydrochloride
CID 119878824
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
CID 120597117
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 56826347
2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpropanamide
CID 62489274
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
1-phenyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 62692580
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 120596588) is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)n1cnnc1CNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is PQOBDZGLRINOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)20-10-18-19-13(20)9-17-14(21)15(3,16)12-7-5-4-6-8-12/h4-8,10-11H,9,16H2,1-3H3,(H,17,21).
What are the key properties of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 120596588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).