2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide

C10H15N5O2S — CID 136980174

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnccc1/C(N)=N/O
InChIInChI=1S/C10H15N5O2S/c1-6(2)13-8(16)5-18-10-7(9(11)15-17)3-4-12-14-10/h3-4,6,17H,5H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyKRXVNZUDBKFMDZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.19
Rot. Bonds5

About 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide

2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 136980174) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID136980174
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnccc1/C(N)=N/O
InChIInChI=1S/C10H15N5O2S/c1-6(2)13-8(16)5-18-10-7(9(11)15-17)3-4-12-14-10/h3-4,6,17H,5H2,1-2H3,(H2,11,15)(H,13,16)
InChIKeyKRXVNZUDBKFMDZ-UHFFFAOYSA-N
XLogP0.19
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
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'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136829666
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381
N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
CID 168908867
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridazine-4-carboximidamide
CID 175896938
methyl 5-amino-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyridine-3-carboxylate
CID 114234205
2-(2-carbamimidoyl-6-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233763
2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 7779316
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
2-[4-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfanyl-N-methylacetamide
CID 114231741

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide (CID 136980174) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnccc1/C(N)=N/O.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is KRXVNZUDBKFMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-6(2)13-8(16)5-18-10-7(9(11)15-17)3-4-12-14-10/h3-4,6,17H,5H2,1-2H3,(H2,11,15)(H,13,16).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 269.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 136980174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).