3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide

C12H19N5 — CID 80513562

IUPAC3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CCC)CC1CC1
InChIInChI=1S/C12H19N5/c1-2-7-17(8-9-3-4-9)12-10(11(13)14)5-6-15-16-12/h5-6,9H,2-4,7-8H2,1H3,(H3,13,14)
InChIKeyQITHSUDXEFSRRT-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.39
Rot. Bonds6

About 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide

3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513562) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
PubChem CID80513562
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(CCC)CC1CC1
InChIInChI=1S/C12H19N5/c1-2-7-17(8-9-3-4-9)12-10(11(13)14)5-6-15-16-12/h5-6,9H,2-4,7-8H2,1H3,(H3,13,14)
InChIKeyQITHSUDXEFSRRT-UHFFFAOYSA-N
XLogP1.39
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide (CID 80513562) is 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(CCC)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide?
The InChIKey is QITHSUDXEFSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-7-17(8-9-3-4-9)12-10(11(13)14)5-6-15-16-12/h5-6,9H,2-4,7-8H2,1H3,(H3,13,14).
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide?
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).