furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

C17H13N5O3 — CID 4580065

IUPACfuran-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccco1)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C17H13N5O3/c23-16(14-6-3-9-25-14)22-17(19-11-13-5-2-8-24-13)20-15(21-22)12-4-1-7-18-10-12/h1-10H,11H2,(H,19,20,21)
InChIKeyOZZFNYNSTKJOIL-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.83
Rot. Bonds5

About furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (PubChem CID 4580065) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
PubChem CID4580065
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Namefuran-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
SMILESO=C(c1ccco1)n1nc(-c2cccnc2)nc1NCc1ccco1
InChIInChI=1S/C17H13N5O3/c23-16(14-6-3-9-25-14)22-17(19-11-13-5-2-8-24-13)20-15(21-22)12-4-1-7-18-10-12/h1-10H,11H2,(H,19,20,21)
InChIKeyOZZFNYNSTKJOIL-UHFFFAOYSA-N
XLogP2.83
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (CID 4580065) is furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is O=C(c1ccco1)n1nc(-c2cccnc2)nc1NCc1ccco1.
What is the InChIKey of furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The InChIKey is OZZFNYNSTKJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-16(14-6-3-9-25-14)22-17(19-11-13-5-2-8-24-13)20-15(21-22)12-4-1-7-18-10-12/h1-10H,11H2,(H,19,20,21).
What are the key properties of furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone has a molecular weight of 335.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is sourced from PubChem (CID 4580065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).