1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

C19H27N7O2 — CID 118646595

IUPAC1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1
InChIInChI=1S/C19H27N7O2/c1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27)
InChIKeyUOVLTWJKOITGBN-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.97
Rot. Bonds9

About 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide

1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (PubChem CID 118646595) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
PubChem CID118646595
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
SMILESCNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1
InChIInChI=1S/C19H27N7O2/c1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27)
InChIKeyUOVLTWJKOITGBN-UHFFFAOYSA-N
XLogP1.97
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[6-[[(Z)-3-aminohex-3-enoyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 146526975
1-[4-[6-[[2-[4-[cyclopropyl(difluoro)methyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 139460854
N-methyl-1-[4-[6-[[2-(3-methylsulfonylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 118640474
1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646632
1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640748
N-[6-[4-(4-methyltriazol-1-yl)butyl]pyridazin-3-yl]cyclopropanecarboxamide
CID 146527093
1-[(2R)-4-[6-[[2-[4-(cyclopropylmethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118653243
1-[2-fluoro-4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118640594
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 118626796
N-methyl-1-[4-[6-[[(2S)-2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propanoyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 131999309
N-methyl-1-[4-[6-[[2-[3-[1-methyl-3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-1,2-dihydroimidazol-5-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 146527814
N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118646666

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide (CID 118646595) is 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is CNC(=O)c1cn(CCCCc2ccc(NC(=O)CC3CCCC3)nn2)nn1.
What is the InChIKey of 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
The InChIKey is UOVLTWJKOITGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-20-19(28)16-13-26(25-23-16)11-5-4-8-15-9-10-17(24-22-15)21-18(27)12-14-6-2-3-7-14/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,28)(H,21,24,27).
What are the key properties of 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide?
1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 118646595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).