4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

C12H7F2N5O2 — CID 147483224

IUPAC4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@@H]1CC1(F)F
InChIInChI=1S/C12H7F2N5O2/c13-12(14)2-7(12)5-1-8(18-19-9(5)3-15)6-4-16-11(21)17-10(6)20/h1,4,7H,2H2,(H2,16,17,20,21)/t7-/m0/s1
InChIKeyFEBLQQPPZJPOPX-ZETCQYMHSA-N
MW291.22 g/mol
LogP0.51
Rot. Bonds2

About 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (PubChem CID 147483224) has the molecular formula C12H7F2N5O2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
PubChem CID147483224
Molecular FormulaC12H7F2N5O2
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@@H]1CC1(F)F
InChIInChI=1S/C12H7F2N5O2/c13-12(14)2-7(12)5-1-8(18-19-9(5)3-15)6-4-16-11(21)17-10(6)20/h1,4,7H,2H2,(H2,16,17,20,21)/t7-/m0/s1
InChIKeyFEBLQQPPZJPOPX-ZETCQYMHSA-N
XLogP0.51
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The IUPAC name of 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (CID 147483224) is 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@@H]1CC1(F)F.
What is the InChIKey of 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The InChIKey is FEBLQQPPZJPOPX-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H7F2N5O2/c13-12(14)2-7(12)5-1-8(18-19-9(5)3-15)6-4-16-11(21)17-10(6)20/h1,4,7H,2H2,(H2,16,17,20,21)/t7-/m0/s1.
What are the key properties of 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile has a molecular weight of 291.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 147483224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).