formamide;3-heptan-2-yl-6-methylpyridazine

C13H23N3O — CID 176985685

IUPACformamide;3-heptan-2-yl-6-methylpyridazine
SMILESCCCCCC(C)c1ccc(C)nn1.NC=O
InChIInChI=1S/C12H20N2.CH3NO/c1-4-5-6-7-10(2)12-9-8-11(3)13-14-12;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3)
InChIKeyYJIBZJYGPWKFNF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.57
Rot. Bonds5

About formamide;3-heptan-2-yl-6-methylpyridazine

formamide;3-heptan-2-yl-6-methylpyridazine (PubChem CID 176985685) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is formamide;3-heptan-2-yl-6-methylpyridazine.

Molecular Properties

Compound Nameformamide;3-heptan-2-yl-6-methylpyridazine
PubChem CID176985685
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Nameformamide;3-heptan-2-yl-6-methylpyridazine
SMILESCCCCCC(C)c1ccc(C)nn1.NC=O
InChIInChI=1S/C12H20N2.CH3NO/c1-4-5-6-7-10(2)12-9-8-11(3)13-14-12;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3)
InChIKeyYJIBZJYGPWKFNF-UHFFFAOYSA-N
XLogP2.57
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-octan-2-ylpyridine
CID 130320586
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CID 173405543
3-(4-heptan-2-ylphenyl)prop-2-enal
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3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
4-docosan-2-ylaniline
CID 22757336
2-methoxy-6-octan-2-ylpyridine
CID 170048215
2-(1-phenylethyl)heptanal
CID 101475787
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578

Frequently Asked Questions

What is the IUPAC name of formamide;3-heptan-2-yl-6-methylpyridazine?
The IUPAC name of formamide;3-heptan-2-yl-6-methylpyridazine (CID 176985685) is formamide;3-heptan-2-yl-6-methylpyridazine.
What is the SMILES notation for formamide;3-heptan-2-yl-6-methylpyridazine?
The canonical SMILES for formamide;3-heptan-2-yl-6-methylpyridazine is CCCCCC(C)c1ccc(C)nn1.NC=O.
What is the InChIKey of formamide;3-heptan-2-yl-6-methylpyridazine?
The InChIKey is YJIBZJYGPWKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.CH3NO/c1-4-5-6-7-10(2)12-9-8-11(3)13-14-12;2-1-3/h8-10H,4-7H2,1-3H3;1H,(H2,2,3).
What are the key properties of formamide;3-heptan-2-yl-6-methylpyridazine?
formamide;3-heptan-2-yl-6-methylpyridazine has a molecular weight of 237.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-heptan-2-yl-6-methylpyridazine is sourced from PubChem (CID 176985685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).