5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide

C20H23N5O2 — CID 42692951

IUPAC5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccoc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14-4-6-16(7-5-14)25-19(15-9-11-27-13-15)21-18(22-25)20(26)24(3)17-8-10-23(2)12-17/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyAJUOKDMAOIOSTN-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.61
Rot. Bonds4

About 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide

5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692951) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
PubChem CID42692951
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccoc2)cc1
InChIInChI=1S/C20H23N5O2/c1-14-4-6-16(7-5-14)25-19(15-9-11-27-13-15)21-18(22-25)20(26)24(3)17-8-10-23(2)12-17/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyAJUOKDMAOIOSTN-UHFFFAOYSA-N
XLogP2.61
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide (CID 42692951) is 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)C3CCN(C)C3)nc2-c2ccoc2)cc1.
What is the InChIKey of 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is AJUOKDMAOIOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-4-6-16(7-5-14)25-19(15-9-11-27-13-15)21-18(22-25)20(26)24(3)17-8-10-23(2)12-17/h4-7,9,11,13,17H,8,10,12H2,1-3H3.
What are the key properties of 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide?
5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-methyl-1-(4-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).