6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde

C14H18N4O — CID 88588334

IUPAC6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde
SMILESCc1c(C=O)c2cnc(N3CCCCC3)nn2c1C
InChIInChI=1S/C14H18N4O/c1-10-11(2)18-13(12(10)9-19)8-15-14(16-18)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3
InChIKeyFNDZKTUAIVULLG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds2

About 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde

6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde (PubChem CID 88588334) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde
PubChem CID88588334
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde
SMILESCc1c(C=O)c2cnc(N3CCCCC3)nn2c1C
InChIInChI=1S/C14H18N4O/c1-10-11(2)18-13(12(10)9-19)8-15-14(16-18)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3
InChIKeyFNDZKTUAIVULLG-UHFFFAOYSA-N
XLogP2.15
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde with MolForge

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Related Compounds

5-ethoxycarbonyl-7-methyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 70883038
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
CID 83896634
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
2-methyl-5-piperidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 83878940
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
5-(azepan-1-yl)-2-methylpyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 2314079
N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
CID 122298530
2-(4,5-dimethyl-3-pyrrolidin-1-ylpyrazol-1-yl)acetaldehyde
CID 89032538
5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 65281403

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde?
The IUPAC name of 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde (CID 88588334) is 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde.
What is the SMILES notation for 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde?
The canonical SMILES for 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde is Cc1c(C=O)c2cnc(N3CCCCC3)nn2c1C.
What is the InChIKey of 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde?
The InChIKey is FNDZKTUAIVULLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-11(2)18-13(12(10)9-19)8-15-14(16-18)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde?
6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbaldehyde is sourced from PubChem (CID 88588334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).