2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine

C12H18N4O — CID 62446978

IUPAC2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1Cn1cncn1
InChIInChI=1S/C12H18N4O/c1-12(2,3)14-6-10-4-5-17-11(10)7-16-9-13-8-15-16/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyTURBFWDZFFRCHR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 62446978) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID62446978
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1Cn1cncn1
InChIInChI=1S/C12H18N4O/c1-12(2,3)14-6-10-4-5-17-11(10)7-16-9-13-8-15-16/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyTURBFWDZFFRCHR-UHFFFAOYSA-N
XLogP1.81
TPSA55.88 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
2-methyl-N-[[3-methyl-5-(1,2,4-triazol-1-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 55072838
2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 106598135
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 115562284
2-methyl-N-[[2-(pyridin-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62451201
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444249
N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 55148771
N-[[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114060881
N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine (CID 62446978) is 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1ccoc1Cn1cncn1.
What is the InChIKey of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is TURBFWDZFFRCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,3)14-6-10-4-5-17-11(10)7-16-9-13-8-15-16/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62446978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).