2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone

C16H21N3O — CID 167911960

IUPAC2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C16H21N3O/c20-15(9-12-5-6-12)18-10-13-3-1-7-17-16(13)19-8-2-4-14(19)11-18/h1,3,7,12,14H,2,4-6,8-11H2/t14-/m1/s1
InChIKeyBPFUIZVGYKGMEW-CQSZACIVSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds2

About 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone

2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone (PubChem CID 167911960) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone
PubChem CID167911960
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone
SMILESO=C(CC1CC1)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C16H21N3O/c20-15(9-12-5-6-12)18-10-13-3-1-7-17-16(13)19-8-2-4-14(19)11-18/h1,3,7,12,14H,2,4-6,8-11H2/t14-/m1/s1
InChIKeyBPFUIZVGYKGMEW-CQSZACIVSA-N
XLogP2.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone (CID 167911960) is 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone is O=C(CC1CC1)N1Cc2cccnc2N2CCC[C@@H]2C1.
What is the InChIKey of 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone?
The InChIKey is BPFUIZVGYKGMEW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15(9-12-5-6-12)18-10-13-3-1-7-17-16(13)19-8-2-4-14(19)11-18/h1,3,7,12,14H,2,4-6,8-11H2/t14-/m1/s1.
What are the key properties of 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone?
2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone is sourced from PubChem (CID 167911960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).