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

C12H18N4O — CID 104804449

IUPAC1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1ncnn1C(C)C
InChIInChI=1S/C12H18N4O/c1-8(2)16-11(14-7-15-16)6-10(13)12-9(3)4-5-17-12/h4-5,7-8,10H,6,13H2,1-3H3
InChIKeyYWWNPVGJMKQQLS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds4

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

1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104804449) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104804449
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1ncnn1C(C)C
InChIInChI=1S/C12H18N4O/c1-8(2)16-11(14-7-15-16)6-10(13)12-9(3)4-5-17-12/h4-5,7-8,10H,6,13H2,1-3H3
InChIKeyYWWNPVGJMKQQLS-UHFFFAOYSA-N
XLogP2.00
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
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-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828
1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160449
1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
2-(1H-imidazol-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 43464742
1-(3-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999739
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104804449) is 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is Cc1ccoc1C(N)Cc1ncnn1C(C)C.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is YWWNPVGJMKQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)16-11(14-7-15-16)6-10(13)12-9(3)4-5-17-12/h4-5,7-8,10H,6,13H2,1-3H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104804449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).