3-(furan-3-yl)-4-methyl-1,2,4-triazole

C7H7N3O — CID 54241476

IUPAC3-(furan-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1ccoc1
InChIInChI=1S/C7H7N3O/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyKEKFYDJPUMJFEW-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.08
Rot. Bonds1

About 3-(furan-3-yl)-4-methyl-1,2,4-triazole

3-(furan-3-yl)-4-methyl-1,2,4-triazole (PubChem CID 54241476) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-(furan-3-yl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(furan-3-yl)-4-methyl-1,2,4-triazole
PubChem CID54241476
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-(furan-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1ccoc1
InChIInChI=1S/C7H7N3O/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3
InChIKeyKEKFYDJPUMJFEW-UHFFFAOYSA-N
XLogP1.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-3-yl)-4H-1,2,4-triazol-3-amine
CID 20121277
N'-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N-(3-furylmethyl)-N-methylurea
CID 28735668
3-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
CID 46995560
(3-furylmethyl)[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine
CID 50950790
1-(3-furylmethyl)-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192568
1-(3-furylmethyl)-3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192761
1-(3-furylmethyl)-2-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 91653888
5-(Furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131898831
3-(furan-3-yl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559800
3-(1-ethyl-1H-1,2,4-triazol-5-yl)furan-2-sulfonyl fluoride
CID 165451071
5-(furan-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165488268
5-(furan-3-yl)-4-propyl-4H-1,2,4-triazole-3-sulfonyl fluoride
CID 165868546

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(furan-3-yl)-4-methyl-1,2,4-triazole (CID 54241476) is 3-(furan-3-yl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(furan-3-yl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(furan-3-yl)-4-methyl-1,2,4-triazole is Cn1cnnc1-c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-4-methyl-1,2,4-triazole?
The InChIKey is KEKFYDJPUMJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-5-8-9-7(10)6-2-3-11-4-6/h2-5H,1H3.
What are the key properties of 3-(furan-3-yl)-4-methyl-1,2,4-triazole?
3-(furan-3-yl)-4-methyl-1,2,4-triazole has a molecular weight of 149.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 54241476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).