[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone

C19H24N4O2 — CID 56712715

IUPAC[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
SMILESCc1noc2nc3c(c(C(=O)N4CC[C@@H]5CC[C@H](C4)N5C)c12)CCC3
InChIInChI=1S/C19H24N4O2/c1-11-16-17(14-4-3-5-15(14)20-18(16)25-21-11)19(24)23-9-8-12-6-7-13(10-23)22(12)2/h12-13H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOVCYGTWWPMCVAW-QWHCGFSZSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds1

About [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone

[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone (PubChem CID 56712715) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone.

Molecular Properties

Compound Name[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
PubChem CID56712715
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
SMILESCc1noc2nc3c(c(C(=O)N4CC[C@@H]5CC[C@H](C4)N5C)c12)CCC3
InChIInChI=1S/C19H24N4O2/c1-11-16-17(14-4-3-5-15(14)20-18(16)25-21-11)19(24)23-9-8-12-6-7-13(10-23)22(12)2/h12-13H,3-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOVCYGTWWPMCVAW-QWHCGFSZSA-N
XLogP2.33
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The IUPAC name of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone (CID 56712715) is [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone.
What is the SMILES notation for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The canonical SMILES for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone is Cc1noc2nc3c(c(C(=O)N4CC[C@@H]5CC[C@H](C4)N5C)c12)CCC3.
What is the InChIKey of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The InChIKey is OVCYGTWWPMCVAW-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-16-17(14-4-3-5-15(14)20-18(16)25-21-11)19(24)23-9-8-12-6-7-13(10-23)22(12)2/h12-13H,3-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone is sourced from PubChem (CID 56712715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).