4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole

C17H24N4 — CID 104688339

IUPAC4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole
SMILESCC(C)CC1(Cc2cnn(-c3ccccc3)n2)CCCN1
InChIInChI=1S/C17H24N4/c1-14(2)11-17(9-6-10-18-17)12-15-13-19-21(20-15)16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3
InChIKeyMPHJMTLKQCPZLF-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.98
Rot. Bonds5

About 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole

4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole (PubChem CID 104688339) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole
PubChem CID104688339
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole
SMILESCC(C)CC1(Cc2cnn(-c3ccccc3)n2)CCCN1
InChIInChI=1S/C17H24N4/c1-14(2)11-17(9-6-10-18-17)12-15-13-19-21(20-15)16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3
InChIKeyMPHJMTLKQCPZLF-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole?
The IUPAC name of 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole (CID 104688339) is 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole.
What is the SMILES notation for 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole?
The canonical SMILES for 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole is CC(C)CC1(Cc2cnn(-c3ccccc3)n2)CCCN1.
What is the InChIKey of 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole?
The InChIKey is MPHJMTLKQCPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(2)11-17(9-6-10-18-17)12-15-13-19-21(20-15)16-7-4-3-5-8-16/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3.
What are the key properties of 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole?
4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole has a molecular weight of 284.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-2-phenyltriazole is sourced from PubChem (CID 104688339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).