1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile

C12H14N6 — CID 63758024

IUPAC1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
SMILESCc1cnc(CNc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C12H14N6/c1-8-5-15-10(6-14-8)7-16-12-11(4-13)9(2)17-18(12)3/h5-6,16H,7H2,1-3H3
InChIKeyQGXZZLYYNVNSGN-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.31
Rot. Bonds3

About 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile (PubChem CID 63758024) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
PubChem CID63758024
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
SMILESCc1cnc(CNc2c(C#N)c(C)nn2C)cn1
InChIInChI=1S/C12H14N6/c1-8-5-15-10(6-14-8)7-16-12-11(4-13)9(2)17-18(12)3/h5-6,16H,7H2,1-3H3
InChIKeyQGXZZLYYNVNSGN-UHFFFAOYSA-N
XLogP1.31
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile (CID 63758024) is 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile is Cc1cnc(CNc2c(C#N)c(C)nn2C)cn1.
What is the InChIKey of 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile?
The InChIKey is QGXZZLYYNVNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-8-5-15-10(6-14-8)7-16-12-11(4-13)9(2)17-18(12)3/h5-6,16H,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63758024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).