1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

C15H26N6 — CID 105161839

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCCn1ncnc1CC(CCc1c(C)nn(C)c1C)NC
InChIInChI=1S/C15H26N6/c1-6-21-15(17-10-18-21)9-13(16-4)7-8-14-11(2)19-20(5)12(14)3/h10,13,16H,6-9H2,1-5H3
InChIKeyNHSKLHAHKOBRIV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.41
Rot. Bonds7

About 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (PubChem CID 105161839) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
PubChem CID105161839
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCCn1ncnc1CC(CCc1c(C)nn(C)c1C)NC
InChIInChI=1S/C15H26N6/c1-6-21-15(17-10-18-21)9-13(16-4)7-8-14-11(2)19-20(5)12(14)3/h10,13,16H,6-9H2,1-5H3
InChIKeyNHSKLHAHKOBRIV-UHFFFAOYSA-N
XLogP1.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (CID 105161839) is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is CCn1ncnc1CC(CCc1c(C)nn(C)c1C)NC.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is NHSKLHAHKOBRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-6-21-15(17-10-18-21)9-13(16-4)7-8-14-11(2)19-20(5)12(14)3/h10,13,16H,6-9H2,1-5H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 105161839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).