N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide

C15H20N6O — CID 146527093

IUPACN-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cn(CCCCc2ccc(NC(=O)C3CC3)nn2)nn1
InChIInChI=1S/C15H20N6O/c1-11-10-21(20-17-11)9-3-2-4-13-7-8-14(19-18-13)16-15(22)12-5-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,16,19,22)
InChIKeyDKCRWMNLGKRTHM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.75
Rot. Bonds7

About N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 146527093) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID146527093
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cn(CCCCc2ccc(NC(=O)C3CC3)nn2)nn1
InChIInChI=1S/C15H20N6O/c1-11-10-21(20-17-11)9-3-2-4-13-7-8-14(19-18-13)16-15(22)12-5-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,16,19,22)
InChIKeyDKCRWMNLGKRTHM-UHFFFAOYSA-N
XLogP1.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646595
1-[4-[6-[[2-[4-[cyclopropyl(difluoro)methyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 139460854
1-[4-[6-[[(Z)-3-aminohex-3-enoyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 146526975
N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113038436
2-(3-bromophenyl)-N-[6-[4-[4-[hydroxy(methylamino)methyl]triazol-1-yl]butyl]pyridazin-3-yl]acetamide
CID 138574684
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 118640474
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646632

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide (CID 146527093) is N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide is Cc1cn(CCCCc2ccc(NC(=O)C3CC3)nn2)nn1.
What is the InChIKey of N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is DKCRWMNLGKRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-10-21(20-17-11)9-3-2-4-13-7-8-14(19-18-13)16-15(22)12-5-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,16,19,22).
What are the key properties of N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146527093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).