3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile

C14H16N6O — CID 97090737

IUPAC3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESCn1cc([C@]2(C)CN(c3nccnc3C#N)CCO2)cn1
InChIInChI=1S/C14H16N6O/c1-14(11-8-18-19(2)9-11)10-20(5-6-21-14)13-12(7-15)16-3-4-17-13/h3-4,8-9H,5-6,10H2,1-2H3/t14-/m0/s1
InChIKeyGUVQYBVQKKLJSN-AWEZNQCLSA-N
MW284.32 g/mol
LogP0.83
Rot. Bonds2

About 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile

3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile (PubChem CID 97090737) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile
PubChem CID97090737
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESCn1cc([C@]2(C)CN(c3nccnc3C#N)CCO2)cn1
InChIInChI=1S/C14H16N6O/c1-14(11-8-18-19(2)9-11)10-20(5-6-21-14)13-12(7-15)16-3-4-17-13/h3-4,8-9H,5-6,10H2,1-2H3/t14-/m0/s1
InChIKeyGUVQYBVQKKLJSN-AWEZNQCLSA-N
XLogP0.83
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile (CID 97090737) is 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile is Cn1cc([C@]2(C)CN(c3nccnc3C#N)CCO2)cn1.
What is the InChIKey of 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile?
The InChIKey is GUVQYBVQKKLJSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N6O/c1-14(11-8-18-19(2)9-11)10-20(5-6-21-14)13-12(7-15)16-3-4-17-13/h3-4,8-9H,5-6,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile?
3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 97090737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).