5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole

C18H24N4 — CID 165417972

IUPAC5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
SMILESCC(c1ccc(-c2nc(C3CC3)n(C)n2)cc1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-13(22-11-3-4-12-22)14-5-7-15(8-6-14)17-19-18(16-9-10-16)21(2)20-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyNNBONUSECXONEO-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.52
Rot. Bonds4

About 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole

5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole (PubChem CID 165417972) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
PubChem CID165417972
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
SMILESCC(c1ccc(-c2nc(C3CC3)n(C)n2)cc1)N1CCCC1
InChIInChI=1S/C18H24N4/c1-13(22-11-3-4-12-22)14-5-7-15(8-6-14)17-19-18(16-9-10-16)21(2)20-17/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyNNBONUSECXONEO-UHFFFAOYSA-N
XLogP3.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole (CID 165417972) is 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole is CC(c1ccc(-c2nc(C3CC3)n(C)n2)cc1)N1CCCC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole?
The InChIKey is NNBONUSECXONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13(22-11-3-4-12-22)14-5-7-15(8-6-14)17-19-18(16-9-10-16)21(2)20-17/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole?
5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole has a molecular weight of 296.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 165417972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).