2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile

C13H15N5 — CID 62847238

IUPAC2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
SMILESCc1cnc(Cn2c(C)c(C)c(C#N)c2N)cn1
InChIInChI=1S/C13H15N5/c1-8-5-17-11(6-16-8)7-18-10(3)9(2)12(4-14)13(18)15/h5-6H,7,15H2,1-3H3
InChIKeyWUASQIGQBJVDOT-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile (PubChem CID 62847238) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
PubChem CID62847238
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
SMILESCc1cnc(Cn2c(C)c(C)c(C#N)c2N)cn1
InChIInChI=1S/C13H15N5/c1-8-5-17-11(6-16-8)7-18-10(3)9(2)12(4-14)13(18)15/h5-6H,7,15H2,1-3H3
InChIKeyWUASQIGQBJVDOT-UHFFFAOYSA-N
XLogP1.71
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile (CID 62847238) is 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile is Cc1cnc(Cn2c(C)c(C)c(C#N)c2N)cn1.
What is the InChIKey of 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile?
The InChIKey is WUASQIGQBJVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-8-5-17-11(6-16-8)7-18-10(3)9(2)12(4-14)13(18)15/h5-6H,7,15H2,1-3H3.
What are the key properties of 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile is sourced from PubChem (CID 62847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).