N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

C14H20N6O2 — CID 167829016

IUPACN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ncn[nH]1
InChIInChI=1S/C14H20N6O2/c1-2-20-11(5-6-18-20)12-10(4-3-7-22-12)8-15-14(21)13-16-9-17-19-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,21)(H,16,17,19)/t10-,12+/m0/s1
InChIKeyFCCCODPQXHXYDI-CMPLNLGQSA-N
MW304.35 g/mol
LogP0.92
Rot. Bonds5

About N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 167829016) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID167829016
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ncn[nH]1
InChIInChI=1S/C14H20N6O2/c1-2-20-11(5-6-18-20)12-10(4-3-7-22-12)8-15-14(21)13-16-9-17-19-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,21)(H,16,17,19)/t10-,12+/m0/s1
InChIKeyFCCCODPQXHXYDI-CMPLNLGQSA-N
XLogP0.92
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 167757142
1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 131961800
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
CID 167830379
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 129005887
N-(morpholin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 103548664
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
CID 128992159
2-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122082189
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (CID 167829016) is N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ncn[nH]1.
What is the InChIKey of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FCCCODPQXHXYDI-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-2-20-11(5-6-18-20)12-10(4-3-7-22-12)8-15-14(21)13-16-9-17-19-13/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,15,21)(H,16,17,19)/t10-,12+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 167829016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).