2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

C17H16N4O2 — CID 86851815

IUPAC2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)C1CC1c1ccco1
InChIInChI=1S/C17H16N4O2/c22-17(15-8-14(15)16-2-1-7-23-16)19-9-12-3-5-13(6-4-12)21-11-18-10-20-21/h1-7,10-11,14-15H,8-9H2,(H,19,22)
InChIKeyDYIBBZZJQVAEID-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 86851815) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID86851815
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)C1CC1c1ccco1
InChIInChI=1S/C17H16N4O2/c22-17(15-8-14(15)16-2-1-7-23-16)19-9-12-3-5-13(6-4-12)21-11-18-10-20-21/h1-7,10-11,14-15H,8-9H2,(H,19,22)
InChIKeyDYIBBZZJQVAEID-UHFFFAOYSA-N
XLogP2.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (CID 86851815) is 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)C1CC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is DYIBBZZJQVAEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(15-8-14(15)16-2-1-7-23-16)19-9-12-3-5-13(6-4-12)21-11-18-10-20-21/h1-7,10-11,14-15H,8-9H2,(H,19,22).
What are the key properties of 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86851815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).