4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole

C12H17N5O2 — CID 139019688

IUPAC4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
SMILESCn1nccc1-c1cn(CCOC2CCOC2)nn1
InChIInChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3
InChIKeyUMZOXYKHMGYBEG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.48
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole

4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole (PubChem CID 139019688) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
PubChem CID139019688
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
SMILESCn1nccc1-c1cn(CCOC2CCOC2)nn1
InChIInChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3
InChIKeyUMZOXYKHMGYBEG-UHFFFAOYSA-N
XLogP0.48
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-[4-(2-methylpyrazol-3-yl)triazol-1-yl]oxolan-2-one
CID 164640450
Ethane;1-methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
CID 178058003
3,6-Bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine
CID 139253050
4-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-1-[2-(1,3-dioxolan-2-yl)ethyl]triazole
CID 167869994
1-[(4,4-Difluorooxolan-2-yl)methyl]-4-(1,4-dimethylpyrazol-5-yl)triazole
CID 167927507
1-Methyl-5-[1-(oxolan-3-yl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole
CID 178058004
(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol
CID 59330644
(2R,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol
CID 70885210
1-(2-Methoxy-2-methylpropyl)-3-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]pyrazole
CID 141314461
1-(Oxan-4-yl)-4-(1-propan-2-ylpyrazol-3-yl)triazole
CID 168850544
1-[(3R)-oxolan-3-yl]-4-(1-propan-2-ylpyrazol-3-yl)triazole
CID 168850690
1-[(3-Methyloxetan-3-yl)methyl]-4-(1-propan-2-ylpyrazol-3-yl)triazole
CID 168850857

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole (CID 139019688) is 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole is Cn1nccc1-c1cn(CCOC2CCOC2)nn1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The InChIKey is UMZOXYKHMGYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole has a molecular weight of 263.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole is sourced from PubChem (CID 139019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).