3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide

C13H15N5S — CID 80513410

IUPAC3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H15N5S/c14-12(15)11-3-5-16-17-13(11)18(10-1-2-10)7-9-4-6-19-8-9/h3-6,8,10H,1-2,7H2,(H3,14,15)
InChIKeyCUFBEHDSUVVAPU-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.99
Rot. Bonds5

About 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide

3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide (PubChem CID 80513410) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide
PubChem CID80513410
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H15N5S/c14-12(15)11-3-5-16-17-13(11)18(10-1-2-10)7-9-4-6-19-8-9/h3-6,8,10H,1-2,7H2,(H3,14,15)
InChIKeyCUFBEHDSUVVAPU-UHFFFAOYSA-N
XLogP1.99
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
3-bromo-4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 82799106
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 61434663
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055267
6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513495
8-N-cyclopropyl-8-N-(thiophen-3-ylmethyl)isoquinoline-5,8-diamine
CID 103137550
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide?
The IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide (CID 80513410) is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide.
What is the SMILES notation for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide?
The canonical SMILES for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide?
The InChIKey is CUFBEHDSUVVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c14-12(15)11-3-5-16-17-13(11)18(10-1-2-10)7-9-4-6-19-8-9/h3-6,8,10H,1-2,7H2,(H3,14,15).
What are the key properties of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide?
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide has a molecular weight of 273.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide is sourced from PubChem (CID 80513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).