N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide

C9H14N4O — CID 83617735

IUPACN-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
SMILESCc1cnnc(C(=O)NCCCN)c1
InChIInChI=1S/C9H14N4O/c1-7-5-8(13-12-6-7)9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyFLFALQCVWCOXCV-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.14
Rot. Bonds4

About N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide

N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide (PubChem CID 83617735) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
PubChem CID83617735
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
SMILESCc1cnnc(C(=O)NCCCN)c1
InChIInChI=1S/C9H14N4O/c1-7-5-8(13-12-6-7)9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14)
InChIKeyFLFALQCVWCOXCV-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide (CID 83617735) is N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide is Cc1cnnc(C(=O)NCCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide?
The InChIKey is FLFALQCVWCOXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-5-8(13-12-6-7)9(14)11-4-2-3-10/h5-6H,2-4,10H2,1H3,(H,11,14).
What are the key properties of N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide?
N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide is sourced from PubChem (CID 83617735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).