4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole

C13H17N3O2 — CID 134553178

IUPAC4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole
SMILESCOCC1(n2c(C)nnc2-c2ccc(C)o2)CC1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(18-9)12-15-14-10(2)16(12)13(6-7-13)8-17-3/h4-5H,6-8H2,1-3H3
InChIKeyPREPEVCIWGGIFQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.29
Rot. Bonds4

About 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole

4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole (PubChem CID 134553178) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole
PubChem CID134553178
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole
SMILESCOCC1(n2c(C)nnc2-c2ccc(C)o2)CC1
InChIInChI=1S/C13H17N3O2/c1-9-4-5-11(18-9)12-15-14-10(2)16(12)13(6-7-13)8-17-3/h4-5H,6-8H2,1-3H3
InChIKeyPREPEVCIWGGIFQ-UHFFFAOYSA-N
XLogP2.29
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazole
CID 134542777
1-methyl-5-(5-methylfuran-2-yl)pyrazole
CID 116869204
4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen
CID 142359372
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
methyl 3-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 136557127
5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141885
2-(methoxymethyl)-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121239944
N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]thiohydroxylamine
CID 142359054
5-[3-[[(2S)-1-(5-fluoropyrimidin-2-yl)propan-2-yl]sulfonylmethyl]-5-(5-methylfuran-2-yl)-1,2,4-triazol-4-yl]-4,6-dimethoxypyrimidine
CID 159881620
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one
CID 166355205

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole?
The IUPAC name of 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole (CID 134553178) is 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole is COCC1(n2c(C)nnc2-c2ccc(C)o2)CC1.
What is the InChIKey of 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole?
The InChIKey is PREPEVCIWGGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-5-11(18-9)12-15-14-10(2)16(12)13(6-7-13)8-17-3/h4-5H,6-8H2,1-3H3.
What are the key properties of 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole?
4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole has a molecular weight of 247.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methoxymethyl)cyclopropyl]-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole is sourced from PubChem (CID 134553178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).