2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

C12H20N6 — CID 91834330

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN(C)CCc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C12H20N6/c1-8-11(9(2)15-14-8)5-6-18(4)7-12-13-10(3)16-17-12/h5-7H2,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyAREUOPGYCXCFJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.13
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 91834330) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID91834330
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(CN(C)CCc2c(C)n[nH]c2C)n[nH]1
InChIInChI=1S/C12H20N6/c1-8-11(9(2)15-14-8)5-6-18(4)7-12-13-10(3)16-17-12/h5-7H2,1-4H3,(H,14,15)(H,13,16,17)
InChIKeyAREUOPGYCXCFJD-UHFFFAOYSA-N
XLogP1.13
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (CID 91834330) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nc(CN(C)CCc2c(C)n[nH]c2C)n[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is AREUOPGYCXCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-8-11(9(2)15-14-8)5-6-18(4)7-12-13-10(3)16-17-12/h5-7H2,1-4H3,(H,14,15)(H,13,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 91834330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).