N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

C14H24N6 — CID 105182281

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc(C)nn1CC
InChIInChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-6-2)12-9-11(4)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3
InChIKeyJKRAEVULCCCKQR-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.91
Rot. Bonds7

About N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 105182281) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID105182281
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc(C)nn1CC
InChIInChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-6-2)12-9-11(4)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3
InChIKeyJKRAEVULCCCKQR-UHFFFAOYSA-N
XLogP1.91
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105182099
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687716
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038502
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106465134
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 105182281) is N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)c1cc(C)nn1CC.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is JKRAEVULCCCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-8-20-13(10-16-18-20)14(15-6-2)12-9-11(4)17-19(12)7-3/h9-10,14-15H,5-8H2,1-4H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 276.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105182281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).