2-nonyl-1,3,5-triazine

C12H21N3 — CID 57006299

IUPAC2-nonyl-1,3,5-triazine
SMILESCCCCCCCCCc1ncncn1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-12-14-10-13-11-15-12/h10-11H,2-9H2,1H3
InChIKeyLVBPVVBMWZTTLM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.16
Rot. Bonds8

About 2-nonyl-1,3,5-triazine

2-nonyl-1,3,5-triazine (PubChem CID 57006299) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-nonyl-1,3,5-triazine.

Molecular Properties

Compound Name2-nonyl-1,3,5-triazine
PubChem CID57006299
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-nonyl-1,3,5-triazine
SMILESCCCCCCCCCc1ncncn1
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-12-14-10-13-11-15-12/h10-11H,2-9H2,1H3
InChIKeyLVBPVVBMWZTTLM-UHFFFAOYSA-N
XLogP3.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
2,4-Diethyl-1,3,5-triazine
CID 19194
2-Hexyl-4,6-dimethyl-1,3,5-triazine
CID 118410366
2,4-Dichloro-6-octyl-1,3,5-triazine
CID 129829092
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine
CID 139685064
2,4,6-Trioctyl-1,3,5-triazine
CID 254831
6-Dodecyl-1,3,5-triazine-2,4-diamine
CID 3778626
2-Amino-4-dimethylamino-6-undecyl-sym-triazine
CID 4380291
2,4,6-Tri(nonyl)-1,3,5-triazine
CID 35219

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1,3,5-triazine?
The IUPAC name of 2-nonyl-1,3,5-triazine (CID 57006299) is 2-nonyl-1,3,5-triazine.
What is the SMILES notation for 2-nonyl-1,3,5-triazine?
The canonical SMILES for 2-nonyl-1,3,5-triazine is CCCCCCCCCc1ncncn1.
What is the InChIKey of 2-nonyl-1,3,5-triazine?
The InChIKey is LVBPVVBMWZTTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-12-14-10-13-11-15-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-nonyl-1,3,5-triazine?
2-nonyl-1,3,5-triazine has a molecular weight of 207.32 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3,5-triazine is sourced from PubChem (CID 57006299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).