6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde

C8H7N3O2 — CID 174762144

IUPAC6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
SMILESO=Cc1nc(C=O)nc(C2CC2)n1
InChIInChI=1S/C8H7N3O2/c12-3-6-9-7(4-13)11-8(10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyICTPWRRVADFZQW-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.37
Rot. Bonds3

About 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde

6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde (PubChem CID 174762144) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde.

Molecular Properties

Compound Name6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
PubChem CID174762144
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
SMILESO=Cc1nc(C=O)nc(C2CC2)n1
InChIInChI=1S/C8H7N3O2/c12-3-6-9-7(4-13)11-8(10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyICTPWRRVADFZQW-UHFFFAOYSA-N
XLogP0.37
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydron;1,3,5-triazine-2,4,6-tricarbaldehyde
CID 174463279
2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde
CID 83877778
4-cyclopropyl-6-methoxypyrimidine-2-carbaldehyde
CID 83874840
2-cyclopropyl-5-hydroxypyrimidine-4-carbaldehyde
CID 83815802
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
CID 80948330
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
2-cyclopropyl-6,7-diphenyl-5,6,7,8-tetrahydropteridine-4-carbaldehyde
CID 88854213
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
CID 105436864
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
CID 122242400

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde?
The IUPAC name of 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde (CID 174762144) is 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde.
What is the SMILES notation for 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde?
The canonical SMILES for 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde is O=Cc1nc(C=O)nc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde?
The InChIKey is ICTPWRRVADFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-3-6-9-7(4-13)11-8(10-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde?
6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde has a molecular weight of 177.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde is sourced from PubChem (CID 174762144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).