(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone

C12H9N5O2 — CID 971909

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccco1
InChIInChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16)
InChIKeyLCKQEPFCQQJQSU-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.20
Rot. Bonds2

About (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone (PubChem CID 971909) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
PubChem CID971909
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccco1
InChIInChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16)
InChIKeyLCKQEPFCQQJQSU-UHFFFAOYSA-N
XLogP1.20
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone (CID 971909) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone is Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is LCKQEPFCQQJQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 255.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 971909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).