2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide

C20H26N6O2 — CID 119762770

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cnc(NC(=O)CC2CC3CCC(C2)N3)n1)NCc1ccccc1
InChIInChI=1S/C20H26N6O2/c27-18(10-15-8-16-6-7-17(9-15)23-16)24-20-22-13-26(25-20)12-19(28)21-11-14-4-2-1-3-5-14/h1-5,13,15-17,23H,6-12H2,(H,21,28)(H,24,25,27)
InChIKeyYMJHANNIKOULIC-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.45
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 119762770) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID119762770
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cn1cnc(NC(=O)CC2CC3CCC(C2)N3)n1)NCc1ccccc1
InChIInChI=1S/C20H26N6O2/c27-18(10-15-8-16-6-7-17(9-15)23-16)24-20-22-13-26(25-20)12-19(28)21-11-14-4-2-1-3-5-14/h1-5,13,15-17,23H,6-12H2,(H,21,28)(H,24,25,27)
InChIKeyYMJHANNIKOULIC-UHFFFAOYSA-N
XLogP1.45
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119762755
trans-(1R,2R)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methoxycyclopropane-1-carboxamide
CID 136585717
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119311439
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-4-phenyloxane-4-carboxamide
CID 60622104
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119744704
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60622129
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-(3,4-dichlorophenyl)-2-methylpropanamide
CID 60622103
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 119691759

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide (CID 119762770) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide is O=C(Cn1cnc(NC(=O)CC2CC3CCC(C2)N3)n1)NCc1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is YMJHANNIKOULIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-18(10-15-8-16-6-7-17(9-15)23-16)24-20-22-13-26(25-20)12-19(28)21-11-14-4-2-1-3-5-14/h1-5,13,15-17,23H,6-12H2,(H,21,28)(H,24,25,27).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 119762770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).