(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine

C13H20N4O — CID 81400665

IUPAC(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCC(C)Cn1ncnc1CN[C@H](C)c1ccco1
InChIInChI=1S/C13H20N4O/c1-10(2)8-17-13(15-9-16-17)7-14-11(3)12-5-4-6-18-12/h4-6,9-11,14H,7-8H2,1-3H3/t11-/m1/s1
InChIKeyYKCHSQNQRJWBGY-LLVKDONJSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds6

About (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 81400665) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID81400665
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCC(C)Cn1ncnc1CN[C@H](C)c1ccco1
InChIInChI=1S/C13H20N4O/c1-10(2)8-17-13(15-9-16-17)7-14-11(3)12-5-4-6-18-12/h4-6,9-11,14H,7-8H2,1-3H3/t11-/m1/s1
InChIKeyYKCHSQNQRJWBGY-LLVKDONJSA-N
XLogP2.38
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 81409705
(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293
(1S)-1-(3-methoxyphenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81354542
(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
CID 104627997
N,N-dimethyl-1-[[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]methyl]cyclobutan-1-amine
CID 105416460
(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 81392850
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine (CID 81400665) is (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine is CC(C)Cn1ncnc1CN[C@H](C)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is YKCHSQNQRJWBGY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)8-17-13(15-9-16-17)7-14-11(3)12-5-4-6-18-12/h4-6,9-11,14H,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 81400665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).