N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine

C11H15N5 — CID 61313104

IUPACN-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(NCCCn2ccnc2)nn1
InChIInChI=1S/C11H15N5/c1-10-3-4-11(15-14-10)13-5-2-7-16-8-6-12-9-16/h3-4,6,8-9H,2,5,7H2,1H3,(H,13,15)
InChIKeyBPEKDQRXGRZEDT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.48
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine

N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine (PubChem CID 61313104) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
PubChem CID61313104
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(NCCCn2ccnc2)nn1
InChIInChI=1S/C11H15N5/c1-10-3-4-11(15-14-10)13-5-2-7-16-8-6-12-9-16/h3-4,6,8-9H,2,5,7H2,1H3,(H,13,15)
InChIKeyBPEKDQRXGRZEDT-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
CID 154338498
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine (CID 61313104) is N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine is Cc1ccc(NCCCn2ccnc2)nn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine?
The InChIKey is BPEKDQRXGRZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-10-3-4-11(15-14-10)13-5-2-7-16-8-6-12-9-16/h3-4,6,8-9H,2,5,7H2,1H3,(H,13,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine?
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine has a molecular weight of 217.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine is sourced from PubChem (CID 61313104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).