N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C15H23N3O3 — CID 64866558

IUPACN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-10-18-13(19)7-6-12(17-18)14(20)16-11-15(21)8-4-3-5-9-15/h6-7,21H,2-5,8-11H2,1H3,(H,16,20)
InChIKeyBPLWESZXTNFXTH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.08
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 64866558) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID64866558
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-10-18-13(19)7-6-12(17-18)14(20)16-11-15(21)8-4-3-5-9-15/h6-7,21H,2-5,8-11H2,1H3,(H,16,20)
InChIKeyBPLWESZXTNFXTH-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 64866558) is N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC2(O)CCCCC2)ccc1=O.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is BPLWESZXTNFXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-10-18-13(19)7-6-12(17-18)14(20)16-11-15(21)8-4-3-5-9-15/h6-7,21H,2-5,8-11H2,1H3,(H,16,20).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 64866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).