(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

C11H15N3 — CID 23634788

IUPAC(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1cncc(N2C[C@@H]3CN[C@@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-8-2-10(5-12-3-8)14-6-9-4-13-11(9)7-14/h2-3,5,9,11,13H,4,6-7H2,1H3/t9-,11+/m0/s1
InChIKeyRQAAEWBMPVGVPB-GXSJLCMTSA-N
MW189.26 g/mol
LogP0.80
Rot. Bonds1

About (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 23634788) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID23634788
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1cncc(N2C[C@@H]3CN[C@@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-8-2-10(5-12-3-8)14-6-9-4-13-11(9)7-14/h2-3,5,9,11,13H,4,6-7H2,1H3/t9-,11+/m0/s1
InChIKeyRQAAEWBMPVGVPB-GXSJLCMTSA-N
XLogP0.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (CID 23634788) is (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is Cc1cncc(N2C[C@@H]3CN[C@@H]3C2)c1.
What is the InChIKey of (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is RQAAEWBMPVGVPB-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-2-10(5-12-3-8)14-6-9-4-13-11(9)7-14/h2-3,5,9,11,13H,4,6-7H2,1H3/t9-,11+/m0/s1.
What are the key properties of (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
(1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 189.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-(5-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 23634788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).