1,3,5-tributyl-2,4-dihydrotriazine

C15H31N3 — CID 19832439

IUPAC1,3,5-tributyl-2,4-dihydrotriazine
SMILESCCCCC1=CN(CCCC)NN(CCCC)C1
InChIInChI=1S/C15H31N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h13,16H,4-12,14H2,1-3H3
InChIKeyHONVSGWNZNPRAX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.70
Rot. Bonds9

About 1,3,5-tributyl-2,4-dihydrotriazine

1,3,5-tributyl-2,4-dihydrotriazine (PubChem CID 19832439) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1,3,5-tributyl-2,4-dihydrotriazine.

Molecular Properties

Compound Name1,3,5-tributyl-2,4-dihydrotriazine
PubChem CID19832439
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1,3,5-tributyl-2,4-dihydrotriazine
SMILESCCCCC1=CN(CCCC)NN(CCCC)C1
InChIInChI=1S/C15H31N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h13,16H,4-12,14H2,1-3H3
InChIKeyHONVSGWNZNPRAX-UHFFFAOYSA-N
XLogP3.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyl-2,4-dihydrotriazine?
The IUPAC name of 1,3,5-tributyl-2,4-dihydrotriazine (CID 19832439) is 1,3,5-tributyl-2,4-dihydrotriazine.
What is the SMILES notation for 1,3,5-tributyl-2,4-dihydrotriazine?
The canonical SMILES for 1,3,5-tributyl-2,4-dihydrotriazine is CCCCC1=CN(CCCC)NN(CCCC)C1.
What is the InChIKey of 1,3,5-tributyl-2,4-dihydrotriazine?
The InChIKey is HONVSGWNZNPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-7-10-15-13-17(11-8-5-2)16-18(14-15)12-9-6-3/h13,16H,4-12,14H2,1-3H3.
What are the key properties of 1,3,5-tributyl-2,4-dihydrotriazine?
1,3,5-tributyl-2,4-dihydrotriazine has a molecular weight of 253.43 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributyl-2,4-dihydrotriazine is sourced from PubChem (CID 19832439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).