3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C15H19ClN6O — CID 118114798

IUPAC3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O
InChIInChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyBLQDZHDJJZRPNR-LLVKDONJSA-N
MW334.81 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 118114798) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID118114798
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O
InChIInChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1
InChIKeyBLQDZHDJJZRPNR-LLVKDONJSA-N
XLogP1.73
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 118114798) is 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is CN1CCCN([C@@H]2CCCN(c3cnc(C#N)c(Cl)n3)C2)C1=O.
What is the InChIKey of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BLQDZHDJJZRPNR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-20-5-3-7-22(15(20)23)11-4-2-6-21(10-11)13-9-18-12(8-17)14(16)19-13/h9,11H,2-7,10H2,1H3/t11-/m1/s1.
What are the key properties of 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 334.81 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3R)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 118114798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).