(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide

C11H17N5O2 — CID 121498296

IUPAC(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)N1C[C@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C11H17N5O2/c17-10-7-1-2-8(10)5-16(4-7)11(18)12-3-9-13-6-14-15-9/h6-8,10,17H,1-5H2,(H,12,18)(H,13,14,15)/t7-,8+,10?
InChIKeyBBGIWLHRFZAMOD-JWHQNHQBSA-N
MW251.29 g/mol
LogP-0.28
Rot. Bonds2

About (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide

(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 121498296) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID121498296
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)N1C[C@H]2CC[C@@H](C1)C2O
InChIInChI=1S/C11H17N5O2/c17-10-7-1-2-8(10)5-16(4-7)11(18)12-3-9-13-6-14-15-9/h6-8,10,17H,1-5H2,(H,12,18)(H,13,14,15)/t7-,8+,10?
InChIKeyBBGIWLHRFZAMOD-JWHQNHQBSA-N
XLogP-0.28
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618296
N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide
CID 78971785
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509747
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 121498296) is (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide is O=C(NCc1ncn[nH]1)N1C[C@H]2CC[C@@H](C1)C2O.
What is the InChIKey of (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is BBGIWLHRFZAMOD-JWHQNHQBSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-10-7-1-2-8(10)5-16(4-7)11(18)12-3-9-13-6-14-15-9/h6-8,10,17H,1-5H2,(H,12,18)(H,13,14,15)/t7-,8+,10?.
What are the key properties of (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 121498296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).