3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide

C11H15N7 — CID 80513561

IUPAC3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-9(10(12)13)3-4-14-16-11/h3-5,7H,6H2,1-2H3,(H3,12,13)
InChIKeyTYKQRLUYSCANSN-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.13
Rot. Bonds4

About 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide

3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide (PubChem CID 80513561) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
PubChem CID80513561
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-9(10(12)13)3-4-14-16-11/h3-5,7H,6H2,1-2H3,(H3,12,13)
InChIKeyTYKQRLUYSCANSN-UHFFFAOYSA-N
XLogP0.13
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550273
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 105382972
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide (CID 80513561) is 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(C)Cc1cnn(C)c1.
What is the InChIKey of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide?
The InChIKey is TYKQRLUYSCANSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c1-17(6-8-5-15-18(2)7-8)11-9(10(12)13)3-4-14-16-11/h3-5,7H,6H2,1-2H3,(H3,12,13).
What are the key properties of 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide?
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide has a molecular weight of 245.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).