N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide

C13H17N5O — CID 106282108

IUPACN-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)c1ncn[nH]1
InChIInChI=1S/C13H17N5O/c1-9(13-15-8-16-18-13)14-7-11-5-3-4-6-12(11)17-10(2)19/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyCSPNUZGZYJJHRU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide

N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide (PubChem CID 106282108) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
PubChem CID106282108
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)c1ncn[nH]1
InChIInChI=1S/C13H17N5O/c1-9(13-15-8-16-18-13)14-7-11-5-3-4-6-12(11)17-10(2)19/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyCSPNUZGZYJJHRU-UHFFFAOYSA-N
XLogP1.61
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoate
CID 103952914
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81351725
2-fluoro-6-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 106282032
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158674
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81369235
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
4-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoic acid
CID 114167925

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide (CID 106282108) is N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC(C)c1ncn[nH]1.
What is the InChIKey of N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is CSPNUZGZYJJHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(13-15-8-16-18-13)14-7-11-5-3-4-6-12(11)17-10(2)19/h3-6,8-9,14H,7H2,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide?
N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 106282108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).