1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C11H16N4O — CID 115897285

IUPAC1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncn(C)n2)o1
InChIInChI=1S/C11H16N4O/c1-8-4-5-10(16-8)9(2)12-6-11-13-7-15(3)14-11/h4-5,7,9,12H,6H2,1-3H3
InChIKeyKSNKALJSGJSSKF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.57
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 115897285) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID115897285
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ncn(C)n2)o1
InChIInChI=1S/C11H16N4O/c1-8-4-5-10(16-8)9(2)12-6-11-13-7-15(3)14-11/h4-5,7,9,12H,6H2,1-3H3
InChIKeyKSNKALJSGJSSKF-UHFFFAOYSA-N
XLogP1.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103907028
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103907022
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 115897334
(1R)-1-(5-methylfuran-2-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 99820946
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103907015
1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131133
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 103907067
1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
CID 115922058

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 115897285) is 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2ncn(C)n2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is KSNKALJSGJSSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-4-5-10(16-8)9(2)12-6-11-13-7-15(3)14-11/h4-5,7,9,12H,6H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115897285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).