2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine

C12H20N6 — CID 112735847

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cnn(C)n2)n1
InChIInChI=1S/C12H20N6/c1-4-9(2)18-6-5-10(15-18)7-11(13)12-8-14-17(3)16-12/h5-6,8-9,11H,4,7,13H2,1-3H3
InChIKeyKSNOLPFDNDFCAY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine (PubChem CID 112735847) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
PubChem CID112735847
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cnn(C)n2)n1
InChIInChI=1S/C12H20N6/c1-4-9(2)18-6-5-10(15-18)7-11(13)12-8-14-17(3)16-12/h5-6,8-9,11H,4,7,13H2,1-3H3
InChIKeyKSNOLPFDNDFCAY-UHFFFAOYSA-N
XLogP1.23
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
CID 104989801
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105154650
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine (CID 112735847) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine is CCC(C)n1ccc(CC(N)c2cnn(C)n2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine?
The InChIKey is KSNOLPFDNDFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-9(2)18-6-5-10(15-18)7-11(13)12-8-14-17(3)16-12/h5-6,8-9,11H,4,7,13H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 112735847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).