N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide

C14H19N5O — CID 63641906

IUPACN-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-3-15-14(20)10(2)16-9-12-13(18-19-17-12)11-7-5-4-6-8-11/h4-8,10,16H,3,9H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyJIQYFPUAJHZVTQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds6

About N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide

N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide (PubChem CID 63641906) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
PubChem CID63641906
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-3-15-14(20)10(2)16-9-12-13(18-19-17-12)11-7-5-4-6-8-11/h4-8,10,16H,3,9H2,1-2H3,(H,15,20)(H,17,18,19)
InChIKeyJIQYFPUAJHZVTQ-UHFFFAOYSA-N
XLogP1.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643313
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63644369
4-phenyl-5-propyl-2H-triazole
CID 66772707
methyl 2-methyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643314
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-cyclopropyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]acetamide
CID 63641722
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 95194367

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide (CID 63641906) is N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide?
The InChIKey is JIQYFPUAJHZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-14(20)10(2)16-9-12-13(18-19-17-12)11-7-5-4-6-8-11/h4-8,10,16H,3,9H2,1-2H3,(H,15,20)(H,17,18,19).
What are the key properties of N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide?
N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 63641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).