3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine

C14H14N4O — CID 82370391

IUPAC3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
SMILESCc1cccc(C)c1-n1nnc(-c2ccco2)c1N
InChIInChI=1S/C14H14N4O/c1-9-5-3-6-10(2)13(9)18-14(15)12(16-17-18)11-7-4-8-19-11/h3-8H,15H2,1-2H3
InChIKeyKXBBQFQEJGLBPC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine

3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine (PubChem CID 82370391) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
PubChem CID82370391
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
SMILESCc1cccc(C)c1-n1nnc(-c2ccco2)c1N
InChIInChI=1S/C14H14N4O/c1-9-5-3-6-10(2)13(9)18-14(15)12(16-17-18)11-7-4-8-19-11/h3-8H,15H2,1-2H3
InChIKeyKXBBQFQEJGLBPC-UHFFFAOYSA-N
XLogP2.73
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370656
5-(furan-2-yl)-3-(4-propan-2-ylphenyl)triazol-4-amine
CID 82370405
2-[5-amino-4-(furan-2-yl)triazol-1-yl]benzoic acid
CID 82370818
3-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)triazol-4-amine
CID 82370247
3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
CID 171827622
3-(2-ethyl-6-methylphenyl)-5-phenyltriazol-4-amine
CID 82370553
3-(furan-2-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62830832
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
6-chloro-2-(furan-2-yl)-4-methylpyridin-3-amine
CID 59355428
2-(2-bromo-6-methylphenyl)furan
CID 168524558
5-(furan-2-yl)-1,3,4-selenadiazol-2-amine
CID 166447374

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine (CID 82370391) is 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine is Cc1cccc(C)c1-n1nnc(-c2ccco2)c1N.
What is the InChIKey of 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine?
The InChIKey is KXBBQFQEJGLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-5-3-6-10(2)13(9)18-14(15)12(16-17-18)11-7-4-8-19-11/h3-8H,15H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine?
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine is sourced from PubChem (CID 82370391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).