1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C9H12N4O — CID 114687790

IUPAC1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccoc1)c1cnnn1C
InChIInChI=1S/C9H12N4O/c1-10-9(7-3-4-14-6-7)8-5-11-12-13(8)2/h3-6,9-10H,1-2H3
InChIKeyMFIFZZDQHNLHAD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.72
Rot. Bonds3

About 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114687790) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114687790
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1ccoc1)c1cnnn1C
InChIInChI=1S/C9H12N4O/c1-10-9(7-3-4-14-6-7)8-5-11-12-13(8)2/h3-6,9-10H,1-2H3
InChIKeyMFIFZZDQHNLHAD-UHFFFAOYSA-N
XLogP0.72
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(furan-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105146777
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114687790) is 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1ccoc1)c1cnnn1C.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is MFIFZZDQHNLHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-10-9(7-3-4-14-6-7)8-5-11-12-13(8)2/h3-6,9-10H,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).