N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

C13H16N4O2 — CID 86789085

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCn1c(CNC(=O)c2ccoc2)nnc1C1CCC1
InChIInChI=1S/C13H16N4O2/c1-17-11(15-16-12(17)9-3-2-4-9)7-14-13(18)10-5-6-19-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,18)
InChIKeyKGFTTYHINMQQJP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.61
Rot. Bonds4

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (PubChem CID 86789085) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
PubChem CID86789085
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
SMILESCn1c(CNC(=O)c2ccoc2)nnc1C1CCC1
InChIInChI=1S/C13H16N4O2/c1-17-11(15-16-12(17)9-3-2-4-9)7-14-13(18)10-5-6-19-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,18)
InChIKeyKGFTTYHINMQQJP-UHFFFAOYSA-N
XLogP1.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide (CID 86789085) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is Cn1c(CNC(=O)c2ccoc2)nnc1C1CCC1.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
The InChIKey is KGFTTYHINMQQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-11(15-16-12(17)9-3-2-4-9)7-14-13(18)10-5-6-19-8-10/h5-6,8-9H,2-4,7H2,1H3,(H,14,18).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 86789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).