4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole

C13H19N5O — CID 97127132

IUPAC4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1OCc1nnc(C)n1C1CC1
InChIInChI=1S/C13H19N5O/c1-8-13(9(2)17(4)16-8)19-7-12-15-14-10(3)18(12)11-5-6-11/h11H,5-7H2,1-4H3
InChIKeyZBUGIGTZCWAYGL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.85
Rot. Bonds4

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

4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole (PubChem CID 97127132) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
PubChem CID97127132
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
SMILESCc1nn(C)c(C)c1OCc1nnc(C)n1C1CC1
InChIInChI=1S/C13H19N5O/c1-8-13(9(2)17(4)16-8)19-7-12-15-14-10(3)18(12)11-5-6-11/h11H,5-7H2,1-4H3
InChIKeyZBUGIGTZCWAYGL-UHFFFAOYSA-N
XLogP1.85
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole (CID 97127132) is 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole is Cc1nn(C)c(C)c1OCc1nnc(C)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
The InChIKey is ZBUGIGTZCWAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-13(9(2)17(4)16-8)19-7-12-15-14-10(3)18(12)11-5-6-11/h11H,5-7H2,1-4H3.
What are the key properties of 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole?
4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole has a molecular weight of 261.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole is sourced from PubChem (CID 97127132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).