2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide

C8H7ClN4O3 — CID 106688417

IUPAC2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccoc2Cl)n1
InChIInChI=1S/C8H7ClN4O3/c1-15-8-11-7(12-13-8)10-6(14)4-2-3-16-5(4)9/h2-3H,1H3,(H2,10,11,12,13,14)
InChIKeyRYMOPJUVXFEVRA-UHFFFAOYSA-N
MW242.62 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide

2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide (PubChem CID 106688417) has the molecular formula C8H7ClN4O3 and a molecular weight of 242.62 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
PubChem CID106688417
Molecular FormulaC8H7ClN4O3
Molecular Weight242.62 g/mol
Exact Mass242.02
IUPAC Name2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccoc2Cl)n1
InChIInChI=1S/C8H7ClN4O3/c1-15-8-11-7(12-13-8)10-6(14)4-2-3-16-5(4)9/h2-3H,1H3,(H2,10,11,12,13,14)
InChIKeyRYMOPJUVXFEVRA-UHFFFAOYSA-N
XLogP1.31
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide (CID 106688417) is 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide is COc1n[nH]c(NC(=O)c2ccoc2Cl)n1.
What is the InChIKey of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide?
The InChIKey is RYMOPJUVXFEVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O3/c1-15-8-11-7(12-13-8)10-6(14)4-2-3-16-5(4)9/h2-3H,1H3,(H2,10,11,12,13,14).
What are the key properties of 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide?
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide has a molecular weight of 242.62 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 106688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).