6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide

C11H14N4O2 — CID 172727749

IUPAC6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])c1cc(NC(=O)[C@@H]2C[C@H]2C)nnc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-5-3-7(5)11(17)13-8-4-6(2)9(10(12)16)15-14-8/h4-5,7H,3H2,1-2H3,(H2,12,16)(H,13,14,17)/t5-,7-/m1/s1/i2D3
InChIKeyHJIIKNPQQGRLAX-JVUJHJANSA-N
MW237.28 g/mol
LogP0.48
Rot. Bonds4

About 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide

6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 172727749) has the molecular formula C11H14N4O2 and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID172727749
Molecular FormulaC11H14N4O2
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])c1cc(NC(=O)[C@@H]2C[C@H]2C)nnc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-5-3-7(5)11(17)13-8-4-6(2)9(10(12)16)15-14-8/h4-5,7H,3H2,1-2H3,(H2,12,16)(H,13,14,17)/t5-,7-/m1/s1/i2D3
InChIKeyHJIIKNPQQGRLAX-JVUJHJANSA-N
XLogP0.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide (CID 172727749) is 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])c1cc(NC(=O)[C@@H]2C[C@H]2C)nnc1C(N)=O.
What is the InChIKey of 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is HJIIKNPQQGRLAX-JVUJHJANSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-5-3-7(5)11(17)13-8-4-6(2)9(10(12)16)15-14-8/h4-5,7H,3H2,1-2H3,(H2,12,16)(H,13,14,17)/t5-,7-/m1/s1/i2D3.
What are the key properties of 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-4-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 172727749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).