5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

C17H24N4 — CID 167173126

IUPAC5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1c2n(c3ncc(N4CCC4)cc13)CCN(C(C)C)C2
InChIInChI=1S/C17H24N4/c1-12(2)20-7-8-21-16(11-20)13(3)15-9-14(10-18-17(15)21)19-5-4-6-19/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKXOWSYMGBAGISI-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.78
Rot. Bonds2

About 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (PubChem CID 167173126) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
PubChem CID167173126
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESCc1c2n(c3ncc(N4CCC4)cc13)CCN(C(C)C)C2
InChIInChI=1S/C17H24N4/c1-12(2)20-7-8-21-16(11-20)13(3)15-9-14(10-18-17(15)21)19-5-4-6-19/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKXOWSYMGBAGISI-UHFFFAOYSA-N
XLogP2.78
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The IUPAC name of 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (CID 167173126) is 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.
What is the SMILES notation for 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The canonical SMILES for 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is Cc1c2n(c3ncc(N4CCC4)cc13)CCN(C(C)C)C2.
What is the InChIKey of 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The InChIKey is KXOWSYMGBAGISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)20-7-8-21-16(11-20)13(3)15-9-14(10-18-17(15)21)19-5-4-6-19/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene has a molecular weight of 284.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-8-methyl-11-propan-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is sourced from PubChem (CID 167173126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).