1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid

C14H15N5O2 — CID 158492168

IUPAC1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCCCc2cc3c(nn2)CC=C3)nn1
InChIInChI=1S/C14H15N5O2/c20-14(21)13-9-19(18-17-13)7-2-1-5-11-8-10-4-3-6-12(10)16-15-11/h3-4,8-9H,1-2,5-7H2,(H,20,21)
InChIKeyNZYAOFKEYKEWEY-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.36
Rot. Bonds6

About 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid

1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid (PubChem CID 158492168) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid
PubChem CID158492168
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCCCc2cc3c(nn2)CC=C3)nn1
InChIInChI=1S/C14H15N5O2/c20-14(21)13-9-19(18-17-13)7-2-1-5-11-8-10-4-3-6-12(10)16-15-11/h3-4,8-9H,1-2,5-7H2,(H,20,21)
InChIKeyNZYAOFKEYKEWEY-UHFFFAOYSA-N
XLogP1.36
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.36
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-(5-hydroxypentyl)triazole-4-carboxylic acid
CID 62227732
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[4-(5-cyclopropyl-6-pyridin-2-yl-7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid
CID 158695570
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
methyl 1-[4-(6-amino-5-bromopyridazin-3-yl)butyl]triazole-4-carboxylate
CID 118620703
1-(2-fluoroethyl)triazole-4-carboxylic acid;prop-2-ynoic acid
CID 160983229
1-[4-(6-cyclopropyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 158510346
1-[2-(3-hydroxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103238187
methyl 1-[4-(5-methyl-7H-pyrrolo[2,3-c]pyridazin-3-yl)butyl]triazole-4-carboxylate
CID 144992954
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
1-[3-(4-fluorophenoxy)propyl]triazole-4-carboxylic acid
CID 62060396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid (CID 158492168) is 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid is O=C(O)c1cn(CCCCc2cc3c(nn2)CC=C3)nn1.
What is the InChIKey of 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid?
The InChIKey is NZYAOFKEYKEWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(21)13-9-19(18-17-13)7-2-1-5-11-8-10-4-3-6-12(10)16-15-11/h3-4,8-9H,1-2,5-7H2,(H,20,21).
What are the key properties of 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid?
1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid has a molecular weight of 285.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]triazole-4-carboxylic acid is sourced from PubChem (CID 158492168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).