(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C13H18N4O — CID 119070319

IUPAC(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCCn1ccnn1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C13H18N4O/c18-13(14-3-5-17-6-4-15-16-17)12-10-8-1-2-9(7-8)11(10)12/h4,6,8-12H,1-3,5,7H2,(H,14,18)/t8-,9+,10+,11-,12?
InChIKeyFYEHRPMWLLFBJM-ZLERWKPPSA-N
MW246.31 g/mol
LogP0.69
Rot. Bonds4

About (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 119070319) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID119070319
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCCn1ccnn1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C13H18N4O/c18-13(14-3-5-17-6-4-15-16-17)12-10-8-1-2-9(7-8)11(10)12/h4,6,8-12H,1-3,5,7H2,(H,14,18)/t8-,9+,10+,11-,12?
InChIKeyFYEHRPMWLLFBJM-ZLERWKPPSA-N
XLogP0.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
CID 113412805
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113375209
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122557943
6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
CID 129436866
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
2-(2,2,6,6-tetramethylpiperidin-4-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 119059577
2-[(2S,5R)-5-(aminomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(triazol-1-yl)ethyl]acetamide
CID 166623794
(3S)-1-cyclopropyl-5-oxo-N-[3-(triazol-1-yl)propyl]pyrrolidine-3-carboxamide
CID 97126904

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 119070319) is (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCCn1ccnn1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is FYEHRPMWLLFBJM-ZLERWKPPSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(14-3-5-17-6-4-15-16-17)12-10-8-1-2-9(7-8)11(10)12/h4,6,8-12H,1-3,5,7H2,(H,14,18)/t8-,9+,10+,11-,12?.
What are the key properties of (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-N-[2-(triazol-1-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 119070319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).