N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide

C13H11N5O2 — CID 47035530

IUPACN-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1ccoc1
InChIInChI=1S/C13H11N5O2/c19-13(11-3-4-20-7-11)16-6-10-1-2-12(15-5-10)18-9-14-8-17-18/h1-5,7-9H,6H2,(H,16,19)
InChIKeyRKVAYOZLOADNKE-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.19
Rot. Bonds4

About N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide

N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide (PubChem CID 47035530) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide
PubChem CID47035530
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1ccoc1
InChIInChI=1S/C13H11N5O2/c19-13(11-3-4-20-7-11)16-6-10-1-2-12(15-5-10)18-9-14-8-17-18/h1-5,7-9H,6H2,(H,16,19)
InChIKeyRKVAYOZLOADNKE-UHFFFAOYSA-N
XLogP1.19
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide (CID 47035530) is N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(-n2cncn2)nc1)c1ccoc1.
What is the InChIKey of N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide?
The InChIKey is RKVAYOZLOADNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-13(11-3-4-20-7-11)16-6-10-1-2-12(15-5-10)18-9-14-8-17-18/h1-5,7-9H,6H2,(H,16,19).
What are the key properties of N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide?
N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 47035530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).