N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C15H26N6 — CID 105160496

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1cc(CC)nn1C
InChIInChI=1S/C15H26N6/c1-6-12-8-14(20(5)19-12)13(16-7-2)9-15-17-10-18-21(15)11(3)4/h8,10-11,13,16H,6-7,9H2,1-5H3
InChIKeyWCWUXLYVVWHYDT-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.05
Rot. Bonds7

About N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105160496) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105160496
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C(C)C)c1cc(CC)nn1C
InChIInChI=1S/C15H26N6/c1-6-12-8-14(20(5)19-12)13(16-7-2)9-15-17-10-18-21(15)11(3)4/h8,10-11,13,16H,6-7,9H2,1-5H3
InChIKeyWCWUXLYVVWHYDT-UHFFFAOYSA-N
XLogP2.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 105160496) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C(C)C)c1cc(CC)nn1C.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is WCWUXLYVVWHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-6-12-8-14(20(5)19-12)13(16-7-2)9-15-17-10-18-21(15)11(3)4/h8,10-11,13,16H,6-7,9H2,1-5H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 290.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105160496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).