(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine

C9H12N4O — CID 127016563

IUPAC(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine
SMILESCc1nnc(C(N)c2ccco2)n1C
InChIInChI=1S/C9H12N4O/c1-6-11-12-9(13(6)2)8(10)7-4-3-5-14-7/h3-5,8H,10H2,1-2H3
InChIKeyJVAFJICUVVVORU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.76
Rot. Bonds2

About (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine

(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine (PubChem CID 127016563) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine
PubChem CID127016563
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine
SMILESCc1nnc(C(N)c2ccco2)n1C
InChIInChI=1S/C9H12N4O/c1-6-11-12-9(13(6)2)8(10)7-4-3-5-14-7/h3-5,8H,10H2,1-2H3
InChIKeyJVAFJICUVVVORU-UHFFFAOYSA-N
XLogP0.76
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 55269817
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)ethanamine
CID 43535659
furan-2-yl(pyrimidin-2-yl)methanamine
CID 63949375
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
(2-ethyl-5-methylpyrazol-3-yl)-(furan-2-yl)methanamine
CID 105146979
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
CID 107096502
1-[amino(furan-2-yl)methyl]imidazol-2-amine
CID 175510836

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine?
The IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine (CID 127016563) is (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine.
What is the SMILES notation for (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine?
The canonical SMILES for (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine is Cc1nnc(C(N)c2ccco2)n1C.
What is the InChIKey of (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine?
The InChIKey is JVAFJICUVVVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-11-12-9(13(6)2)8(10)7-4-3-5-14-7/h3-5,8H,10H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine?
(4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,2,4-triazol-3-yl)-(furan-2-yl)methanamine is sourced from PubChem (CID 127016563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).