2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine

C10H12N6 — CID 80652610

IUPAC2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
SMILESCc1cnc(CNc2cnc(N)cn2)cn1
InChIInChI=1S/C10H12N6/c1-7-2-13-8(3-12-7)4-15-10-6-14-9(11)5-16-10/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,15,16)
InChIKeyAQINSNHDULLLPD-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.77
Rot. Bonds3

About 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine

2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine (PubChem CID 80652610) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
PubChem CID80652610
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
SMILESCc1cnc(CNc2cnc(N)cn2)cn1
InChIInChI=1S/C10H12N6/c1-7-2-13-8(3-12-7)4-15-10-6-14-9(11)5-16-10/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,15,16)
InChIKeyAQINSNHDULLLPD-UHFFFAOYSA-N
XLogP0.77
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine (CID 80652610) is 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine is Cc1cnc(CNc2cnc(N)cn2)cn1.
What is the InChIKey of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine?
The InChIKey is AQINSNHDULLLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-7-2-13-8(3-12-7)4-15-10-6-14-9(11)5-16-10/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine?
2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).