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

C19H15N5O2 — CID 133081422

IUPAC[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccncc2)nc1NCc1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23)
InChIKeyDDZQUXJBMPJFPD-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.23
Rot. Bonds5

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

[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone (PubChem CID 133081422) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
PubChem CID133081422
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccncc2)nc1NCc1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23)
InChIKeyDDZQUXJBMPJFPD-UHFFFAOYSA-N
XLogP3.23
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone (CID 133081422) is [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)n1nc(-c2ccncc2)nc1NCc1ccccc1.
What is the InChIKey of [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The InChIKey is DDZQUXJBMPJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(16-8-11-26-13-16)24-19(21-12-14-4-2-1-3-5-14)22-17(23-24)15-6-9-20-10-7-15/h1-11,13H,12H2,(H,21,22,23).
What are the key properties of [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone has a molecular weight of 345.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133081422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).