N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide

C11H13N7O2 — CID 136905920

IUPACN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)c(C)nn1
InChIInChI=1S/C11H13N7O2/c1-5-3-7(6(2)16-15-5)11(19)14-10-8(4-13-17-10)9(12)18-20/h3-4,20H,1-2H3,(H2,12,18)(H2,13,14,17,19)
InChIKeyVUNPGZDPKCNHRH-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.16
Rot. Bonds3

About N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 136905920) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID136905920
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)c(C)nn1
InChIInChI=1S/C11H13N7O2/c1-5-3-7(6(2)16-15-5)11(19)14-10-8(4-13-17-10)9(12)18-20/h3-4,20H,1-2H3,(H2,12,18)(H2,13,14,17,19)
InChIKeyVUNPGZDPKCNHRH-UHFFFAOYSA-N
XLogP0.16
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-2-methylpyridine-4-carboxamide
CID 136771415
2-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-4-methylbenzamide
CID 136776120
3,6-dimethyl-N-(1H-pyrazol-4-yl)pyridazine-4-carboxamide
CID 115875480
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 136768455
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
2-bromo-6-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]benzamide
CID 137005417
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 107800573
N-[4-(N'-hydroxycarbamimidoyl)-1H-pyrazol-5-yl]-2-methylhexanamide
CID 136999075
N'-hydroxy-5-(sulfamoylamino)-1H-pyrazole-4-carboximidamide
CID 136699928
N-(4-hydroxy-2,5-dimethylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136762066
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide (CID 136905920) is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2[nH]ncc2/C(N)=N/O)c(C)nn1.
What is the InChIKey of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is VUNPGZDPKCNHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2/c1-5-3-7(6(2)16-15-5)11(19)14-10-8(4-13-17-10)9(12)18-20/h3-4,20H,1-2H3,(H2,12,18)(H2,13,14,17,19).
What are the key properties of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide?
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1H-pyrazol-5-yl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 136905920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).