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

C12H20N6 — CID 107302391

IUPAC2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCCn1cc(C)cn1
InChIInChI=1S/C12H20N6/c1-3-5-18-12(14-10-16-18)8-13-4-6-17-9-11(2)7-15-17/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyNRLQHYWLLLHZHV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds7

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

2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 107302391) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID107302391
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCCn1cc(C)cn1
InChIInChI=1S/C12H20N6/c1-3-5-18-12(14-10-16-18)8-13-4-6-17-9-11(2)7-15-17/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyNRLQHYWLLLHZHV-UHFFFAOYSA-N
XLogP0.98
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
N-[[2-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106457410
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 107302391) is 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCCn1ncnc1CNCCn1cc(C)cn1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is NRLQHYWLLLHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-3-5-18-12(14-10-16-18)8-13-4-6-17-9-11(2)7-15-17/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107302391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).