2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C14H19N5O — CID 62834156

IUPAC2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H19N5O/c1-4-16-14(2,3)13(20)18-11-5-7-12(8-6-11)19-10-15-9-17-19/h5-10,16H,4H2,1-3H3,(H,18,20)
InChIKeyUPEZFONWPAOBPC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds5

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

2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 62834156) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID62834156
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H19N5O/c1-4-16-14(2,3)13(20)18-11-5-7-12(8-6-11)19-10-15-9-17-19/h5-10,16H,4H2,1-3H3,(H,18,20)
InChIKeyUPEZFONWPAOBPC-UHFFFAOYSA-N
XLogP1.59
TPSA71.84 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62836603
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62832697
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
2,2-dimethyl-3-[4-(1,2,4-triazol-1-yl)anilino]propan-1-ol
CID 81411336
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 62834156) is 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is CCNC(C)(C)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is UPEZFONWPAOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-16-14(2,3)13(20)18-11-5-7-12(8-6-11)19-10-15-9-17-19/h5-10,16H,4H2,1-3H3,(H,18,20).
What are the key properties of 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 62834156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).