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

C11H16N6 — CID 102613114

IUPAC1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nccnc1C(C)NCc1ncn(C)n1
InChIInChI=1S/C11H16N6/c1-8-11(13-5-4-12-8)9(2)14-6-10-15-7-17(3)16-10/h4-5,7,9,14H,6H2,1-3H3
InChIKeyKMTARWCWSLDVGV-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.76
Rot. Bonds4

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

1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 102613114) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID102613114
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nccnc1C(C)NCc1ncn(C)n1
InChIInChI=1S/C11H16N6/c1-8-11(13-5-4-12-8)9(2)14-6-10-15-7-17(3)16-10/h4-5,7,9,14H,6H2,1-3H3
InChIKeyKMTARWCWSLDVGV-UHFFFAOYSA-N
XLogP0.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[1-(2,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]ethanamine
CID 167430040
1-[3-[1-(1,2,2-Trifluoroethyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]ethanamine
CID 175555884
N-(cyclopropylmethyl)-1-[3-(1,2,4-triazol-1-yl)pyrazin-2-yl]ethanamine
CID 156131871
1-[3-(3-Methyl-1,2,4-triazol-1-yl)pyrazin-2-yl]ethanamine
CID 162524154
1-[3-(1,2,4-Triazol-1-yl)pyrazin-2-yl]ethanamine
CID 162524193
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidin-2-amine
CID 50972695
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762349
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 63332506
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyrazin-2-ylethanamine
CID 64190925
1-pyrazin-2-yl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 64191314
1-pyrazin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 64191526
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyrazin-2-ylethanamine
CID 64191529

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 102613114) is 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nccnc1C(C)NCc1ncn(C)n1.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is KMTARWCWSLDVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-11(13-5-4-12-8)9(2)14-6-10-15-7-17(3)16-10/h4-5,7,9,14H,6H2,1-3H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 102613114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).