N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H13N5O2 — CID 122263899

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N5O2/c19-12-4-3-10(17-18-12)13(20)14-6-9-5-11(8-1-2-8)16-7-15-9/h3-5,7-8H,1-2,6H2,(H,14,20)(H,18,19)
InChIKeyZZILHFWIGFUGNX-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.37
Rot. Bonds4

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 122263899) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID122263899
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H13N5O2/c19-12-4-3-10(17-18-12)13(20)14-6-9-5-11(8-1-2-8)16-7-15-9/h3-5,7-8H,1-2,6H2,(H,14,20)(H,18,19)
InChIKeyZZILHFWIGFUGNX-UHFFFAOYSA-N
XLogP0.37
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 122263899) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCc1cc(C2CC2)ncn1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZZILHFWIGFUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-12-4-3-10(17-18-12)13(20)14-6-9-5-11(8-1-2-8)16-7-15-9/h3-5,7-8H,1-2,6H2,(H,14,20)(H,18,19).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 122263899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).