1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C13H20N6 — CID 105160449

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ncnn2C(C)C)c(C)nn1
InChIInChI=1S/C13H20N6/c1-8(2)19-13(15-7-16-19)6-12(14)11-5-9(3)17-18-10(11)4/h5,7-8,12H,6,14H2,1-4H3
InChIKeyBVWQLJTWBHPLBB-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.51
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105160449) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105160449
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ncnn2C(C)C)c(C)nn1
InChIInChI=1S/C13H20N6/c1-8(2)19-13(15-7-16-19)6-12(14)11-5-9(3)17-18-10(11)4/h5,7-8,12H,6,14H2,1-4H3
InChIKeyBVWQLJTWBHPLBB-UHFFFAOYSA-N
XLogP1.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999756
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104804449
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105082248
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 105160449) is 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is Cc1cc(C(N)Cc2ncnn2C(C)C)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BVWQLJTWBHPLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-8(2)19-13(15-7-16-19)6-12(14)11-5-9(3)17-18-10(11)4/h5,7-8,12H,6,14H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 260.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105160449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).