2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide

C14H19N5O — CID 120597117

IUPAC2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
SMILESCc1nncn1CCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11-18-17-10-19(11)9-8-16-13(20)14(2,15)12-6-4-3-5-7-12/h3-7,10H,8-9,15H2,1-2H3,(H,16,20)
InChIKeyKIUFBBSYTYNOHZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide

2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide (PubChem CID 120597117) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
PubChem CID120597117
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
SMILESCc1nncn1CCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11-18-17-10-19(11)9-8-16-13(20)14(2,15)12-6-4-3-5-7-12/h3-7,10H,8-9,15H2,1-2H3,(H,16,20)
InChIKeyKIUFBBSYTYNOHZ-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide (CID 120597117) is 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide is Cc1nncn1CCNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide?
The InChIKey is KIUFBBSYTYNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-18-17-10-19(11)9-8-16-13(20)14(2,15)12-6-4-3-5-7-12/h3-7,10H,8-9,15H2,1-2H3,(H,16,20).
What are the key properties of 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide?
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 120597117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).