3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole

C10H13N3O — CID 167964392

IUPAC3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H13N3O/c1-7(2)6-9-11-10(13-12-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyQGXASIPJXGEQRU-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.26
Rot. Bonds3

About 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole

3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole (PubChem CID 167964392) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
PubChem CID167964392
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H13N3O/c1-7(2)6-9-11-10(13-12-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyQGXASIPJXGEQRU-UHFFFAOYSA-N
XLogP2.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethanimine
CID 90741695
2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111805537
ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
CID 18801946
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 39734358
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111835439
(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
CID 96539862
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997577
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
1-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111768542
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole (CID 167964392) is 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole is CC(C)Cc1nc(-c2ccco2)n[nH]1.
What is the InChIKey of 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole?
The InChIKey is QGXASIPJXGEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)6-9-11-10(13-12-9)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole?
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole has a molecular weight of 191.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 167964392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).