cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone

C18H18N4O2 — CID 46263807

IUPACcyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
SMILESCc1ccc(CNc2nc(-c3ccco3)nn2C(=O)C2CC2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-6-13(7-5-12)11-19-18-20-16(15-3-2-10-24-15)21-22(18)17(23)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,19,20,21)
InChIKeyBCYDYZRDNNRQOC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.51
Rot. Bonds5

About cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone

cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone (PubChem CID 46263807) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
PubChem CID46263807
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namecyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
SMILESCc1ccc(CNc2nc(-c3ccco3)nn2C(=O)C2CC2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-6-13(7-5-12)11-19-18-20-16(15-3-2-10-24-15)21-22(18)17(23)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,19,20,21)
InChIKeyBCYDYZRDNNRQOC-UHFFFAOYSA-N
XLogP3.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone (CID 46263807) is cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone is Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone?
The InChIKey is BCYDYZRDNNRQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-4-6-13(7-5-12)11-19-18-20-16(15-3-2-10-24-15)21-22(18)17(23)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone?
cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(furan-2-yl)-5-[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 46263807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).