2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane

C19H27N7O — CID 143882920

IUPAC2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
SMILESCC.Nc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C17H21N7O.C2H6/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13;1-2/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21);1-2H3
InChIKeyRYXAPTGAUUQZJH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.10
Rot. Bonds8

About 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane (PubChem CID 143882920) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane.

Molecular Properties

Compound Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
PubChem CID143882920
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
SMILESCC.Nc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1
InChIInChI=1S/C17H21N7O.C2H6/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13;1-2/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21);1-2H3
InChIKeyRYXAPTGAUUQZJH-UHFFFAOYSA-N
XLogP2.10
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-propan-2-ylacetamide
CID 52946860
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 53359804
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
CID 67064264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane?
The IUPAC name of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane (CID 143882920) is 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane.
What is the SMILES notation for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane?
The canonical SMILES for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane is CC.Nc1ncc(CCCc2cn(CC(=O)NCc3ccccc3)nn2)[nH]1.
What is the InChIKey of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane?
The InChIKey is RYXAPTGAUUQZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O.C2H6/c18-17-20-10-14(21-17)7-4-8-15-11-24(23-22-15)12-16(25)19-9-13-5-2-1-3-6-13;1-2/h1-3,5-6,10-11H,4,7-9,12H2,(H,19,25)(H3,18,20,21);1-2H3.
What are the key properties of 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane?
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane has a molecular weight of 369.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane is sourced from PubChem (CID 143882920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).