6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine

C11H14N6 — CID 79827777

IUPAC6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
SMILESCc1cnc(CNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C11H14N6/c1-7-4-15-8(5-14-7)6-16-10-3-2-9(12)11(13)17-10/h2-5H,6,12H2,1H3,(H3,13,16,17)
InChIKeyHSDPAFZSSYUPKZ-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.96
Rot. Bonds3

About 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine

6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine (PubChem CID 79827777) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
PubChem CID79827777
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
SMILESCc1cnc(CNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C11H14N6/c1-7-4-15-8(5-14-7)6-16-10-3-2-9(12)11(13)17-10/h2-5H,6,12H2,1H3,(H3,13,16,17)
InChIKeyHSDPAFZSSYUPKZ-UHFFFAOYSA-N
XLogP0.96
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine (CID 79827777) is 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine is Cc1cnc(CNc2ccc(N)c(N)n2)cn1.
What is the InChIKey of 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine?
The InChIKey is HSDPAFZSSYUPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-7-4-15-8(5-14-7)6-16-10-3-2-9(12)11(13)17-10/h2-5H,6,12H2,1H3,(H3,13,16,17).
What are the key properties of 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine?
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine has a molecular weight of 230.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79827777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).