4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole

C17H24N4 — CID 75424325

IUPAC4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(CN2CC(C)C2c2ccccc2)n1C
InChIInChI=1S/C17H24N4/c1-12(2)17-19-18-15(20(17)4)11-21-10-13(3)16(21)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
InChIKeyPYBXVHUTCHYDNS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.13
Rot. Bonds4

About 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole

4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole (PubChem CID 75424325) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
PubChem CID75424325
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(CN2CC(C)C2c2ccccc2)n1C
InChIInChI=1S/C17H24N4/c1-12(2)17-19-18-15(20(17)4)11-21-10-13(3)16(21)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
InChIKeyPYBXVHUTCHYDNS-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole (CID 75424325) is 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(CN2CC(C)C2c2ccccc2)n1C.
What is the InChIKey of 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole?
The InChIKey is PYBXVHUTCHYDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)17-19-18-15(20(17)4)11-21-10-13(3)16(21)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3.
What are the key properties of 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole?
4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole has a molecular weight of 284.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methyl-2-phenylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 75424325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).