2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

C11H17N5O2 — CID 137205341

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c17-10(12-4-9-13-11(18)15-14-9)6-16-5-7-1-2-8(16)3-7/h7-8H,1-6H2,(H,12,17)(H2,13,14,15,18)/t7-,8+/m1/s1
InChIKeyOGUKBSUFMAFQHM-SFYZADRCSA-N
MW251.29 g/mol
LogP-0.80
Rot. Bonds4

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 137205341) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID137205341
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c17-10(12-4-9-13-11(18)15-14-9)6-16-5-7-1-2-8(16)3-7/h7-8H,1-6H2,(H,12,17)(H2,13,14,15,18)/t7-,8+/m1/s1
InChIKeyOGUKBSUFMAFQHM-SFYZADRCSA-N
XLogP-0.80
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

1-(cyclohexylcarbonyl)-N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-L-prolinamide
CID 136334885
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255352
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 146193093
5-{1-[(1S*,4R*)-2-azabicyclo[2.2.1]hept-2-ylacetyl]piperidin-4-yl}-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56706752
6-(4-pyrrolidin-2-ylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 63257017
3-[1-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 133137599
2-(4-methylpiperidin-1-yl)-N-[1-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136334840
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136890785
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136890786
1-cyclopentyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 137214467
N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 137219186
5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methyl-4H-1,2,4-triazol-3-one
CID 137233090

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 137205341) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is OGUKBSUFMAFQHM-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-10(12-4-9-13-11(18)15-14-9)6-16-5-7-1-2-8(16)3-7/h7-8H,1-6H2,(H,12,17)(H2,13,14,15,18)/t7-,8+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 137205341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).