(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C15H14N6O2 — CID 71932996

IUPAC(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2
InChIInChI=1S/C15H14N6O2/c16-14-6-9-8-21(4-3-10(9)17-20-14)15(22)12-7-11(18-19-12)13-2-1-5-23-13/h1-2,5-7H,3-4,8H2,(H2,16,20)(H,18,19)
InChIKeyASIYNPNWJFUHAE-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.24
Rot. Bonds2

About (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 71932996) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID71932996
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESNc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2
InChIInChI=1S/C15H14N6O2/c16-14-6-9-8-21(4-3-10(9)17-20-14)15(22)12-7-11(18-19-12)13-2-1-5-23-13/h1-2,5-7H,3-4,8H2,(H2,16,20)(H,18,19)
InChIKeyASIYNPNWJFUHAE-UHFFFAOYSA-N
XLogP1.24
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 71932996) is (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is Nc1cc2c(nn1)CCN(C(=O)c1cc(-c3ccco3)[nH]n1)C2.
What is the InChIKey of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is ASIYNPNWJFUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c16-14-6-9-8-21(4-3-10(9)17-20-14)15(22)12-7-11(18-19-12)13-2-1-5-23-13/h1-2,5-7H,3-4,8H2,(H2,16,20)(H,18,19).
What are the key properties of (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 310.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 71932996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).