N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide

C13H19N5O2 — CID 104671945

IUPACN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2(/C(N)=N/O)CCCC2)c(C)nn1
InChIInChI=1S/C13H19N5O2/c1-8-7-10(9(2)17-16-8)11(19)15-13(12(14)18-20)5-3-4-6-13/h7,20H,3-6H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyNFRSLCGDDLVWLK-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.88
Rot. Bonds3

About N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide

N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671945) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671945
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2(/C(N)=N/O)CCCC2)c(C)nn1
InChIInChI=1S/C13H19N5O2/c1-8-7-10(9(2)17-16-8)11(19)15-13(12(14)18-20)5-3-4-6-13/h7,20H,3-6H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyNFRSLCGDDLVWLK-UHFFFAOYSA-N
XLogP0.88
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104671945) is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NC2(/C(N)=N/O)CCCC2)c(C)nn1.
What is the InChIKey of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is NFRSLCGDDLVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8-7-10(9(2)17-16-8)11(19)15-13(12(14)18-20)5-3-4-6-13/h7,20H,3-6H2,1-2H3,(H2,14,18)(H,15,19).
What are the key properties of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).