N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C14H19N5O — CID 43601183

IUPACN-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNCc1cccc(NC(=O)C(C)n2cncn2)c1
InChIInChI=1S/C14H19N5O/c1-3-15-8-12-5-4-6-13(7-12)18-14(20)11(2)19-10-16-9-17-19/h4-7,9-11,15H,3,8H2,1-2H3,(H,18,20)
InChIKeyDLQYNJZQKDQLDN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds6

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

N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43601183) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43601183
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCNCc1cccc(NC(=O)C(C)n2cncn2)c1
InChIInChI=1S/C14H19N5O/c1-3-15-8-12-5-4-6-13(7-12)18-14(20)11(2)19-10-16-9-17-19/h4-7,9-11,15H,3,8H2,1-2H3,(H,18,20)
InChIKeyDLQYNJZQKDQLDN-UHFFFAOYSA-N
XLogP1.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]acetic acid
CID 65345877
3-[3-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 115339337
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
3-(ethylamino)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62853447
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71936006
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[5-chloro-2-(ethylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75517942

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 43601183) is N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is CCNCc1cccc(NC(=O)C(C)n2cncn2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DLQYNJZQKDQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-8-12-5-4-6-13(7-12)18-14(20)11(2)19-10-16-9-17-19/h4-7,9-11,15H,3,8H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43601183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).