1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C10H14N6 — CID 81325855

IUPAC1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cnc(CNCc2nncn2C)cn1
InChIInChI=1S/C10H14N6/c1-8-3-13-9(5-12-8)4-11-6-10-15-14-7-16(10)2/h3,5,7,11H,4,6H2,1-2H3
InChIKeyAATDOYAVLPKUEF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.20
Rot. Bonds4

About 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 81325855) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID81325855
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1cnc(CNCc2nncn2C)cn1
InChIInChI=1S/C10H14N6/c1-8-3-13-9(5-12-8)4-11-6-10-15-14-7-16(10)2/h3,5,7,11H,4,6H2,1-2H3
InChIKeyAATDOYAVLPKUEF-UHFFFAOYSA-N
XLogP0.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 81325855) is 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1cnc(CNCc2nncn2C)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is AATDOYAVLPKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-3-13-9(5-12-8)4-11-6-10-15-14-7-16(10)2/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 81325855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).