2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine

C16H20N4O2 — CID 50961433

IUPAC2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-n2nc(C3CC3)nc2COCC2CCCO2)nc1
InChIInChI=1S/C16H20N4O2/c1-2-8-17-14(5-1)20-15(18-16(19-20)12-6-7-12)11-21-10-13-4-3-9-22-13/h1-2,5,8,12-13H,3-4,6-7,9-11H2
InChIKeyMECNITWQNHGLMZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine

2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50961433) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50961433
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
SMILESc1ccc(-n2nc(C3CC3)nc2COCC2CCCO2)nc1
InChIInChI=1S/C16H20N4O2/c1-2-8-17-14(5-1)20-15(18-16(19-20)12-6-7-12)11-21-10-13-4-3-9-22-13/h1-2,5,8,12-13H,3-4,6-7,9-11H2
InChIKeyMECNITWQNHGLMZ-UHFFFAOYSA-N
XLogP2.24
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
1-(2,3-dihydro-1H-inden-2-yl)-5-[[(2S)-oxan-2-yl]methoxymethyl]-1,2,4-triazole
CID 97117156
4-[1-(3-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
CID 97438447
N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219669
6-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-2-methyl-1H-benzimidazole
CID 50949448
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
[3-(oxan-2-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 62895887
(4S)-4-[3-[[(2R)-oxolan-2-yl]methoxy]propyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione
CID 8821871

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine (CID 50961433) is 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine is c1ccc(-n2nc(C3CC3)nc2COCC2CCCO2)nc1.
What is the InChIKey of 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is MECNITWQNHGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-8-17-14(5-1)20-15(18-16(19-20)12-6-7-12)11-21-10-13-4-3-9-22-13/h1-2,5,8,12-13H,3-4,6-7,9-11H2.
What are the key properties of 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 300.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50961433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).