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

C18H18N4O2 — CID 42692938

IUPACN-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC3CC3)nc2-c2ccoc2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-2-6-15(7-3-12)22-17(14-8-9-24-11-14)20-16(21-22)18(23)19-10-13-4-5-13/h2-3,6-9,11,13H,4-5,10H2,1H3,(H,19,23)
InChIKeyNBIHTCFRMVTWPY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.98
Rot. Bonds5

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

N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42692938) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42692938
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC3CC3)nc2-c2ccoc2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-2-6-15(7-3-12)22-17(14-8-9-24-11-14)20-16(21-22)18(23)19-10-13-4-5-13/h2-3,6-9,11,13H,4-5,10H2,1H3,(H,19,23)
InChIKeyNBIHTCFRMVTWPY-UHFFFAOYSA-N
XLogP2.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42692938) is N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCC3CC3)nc2-c2ccoc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is NBIHTCFRMVTWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-2-6-15(7-3-12)22-17(14-8-9-24-11-14)20-16(21-22)18(23)19-10-13-4-5-13/h2-3,6-9,11,13H,4-5,10H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).