2-pentoxy-1,3,5-triazine

C8H13N3O — CID 68953481

IUPAC2-pentoxy-1,3,5-triazine
SMILESCCCCCOc1ncncn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-5-12-8-10-6-9-7-11-8/h6-7H,2-5H2,1H3
InChIKeyIOKDWDRZTNBTMT-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.44
Rot. Bonds5

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

2-pentoxy-1,3,5-triazine (PubChem CID 68953481) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-pentoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-pentoxy-1,3,5-triazine
PubChem CID68953481
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-pentoxy-1,3,5-triazine
SMILESCCCCCOc1ncncn1
InChIInChI=1S/C8H13N3O/c1-2-3-4-5-12-8-10-6-9-7-11-8/h6-7H,2-5H2,1H3
InChIKeyIOKDWDRZTNBTMT-UHFFFAOYSA-N
XLogP1.44
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-octoxypyrimidin-5-amine
CID 61145971
5-heptyl-2-hexoxypyrimidine
CID 102401723
2-hexoxy-5-hexylpyrimidine
CID 67907771
2-decoxy-4-prop-2-enoxy-1,3,5-triazine
CID 175353487
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-dodecoxypyrimidine-5-carboxylic acid
CID 19979019
4-hexoxypyrimidin-5-amine
CID 79916301
2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
CID 150774956
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
4-pentoxypyridine
CID 23560340
1,4-dipentoxybenzene
CID 18314717
2-[2-(1,3,5-triazin-2-yloxy)ethoxy]ethanol
CID 175603748

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-1,3,5-triazine?
The IUPAC name of 2-pentoxy-1,3,5-triazine (CID 68953481) is 2-pentoxy-1,3,5-triazine.
What is the SMILES notation for 2-pentoxy-1,3,5-triazine?
The canonical SMILES for 2-pentoxy-1,3,5-triazine is CCCCCOc1ncncn1.
What is the InChIKey of 2-pentoxy-1,3,5-triazine?
The InChIKey is IOKDWDRZTNBTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-5-12-8-10-6-9-7-11-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-pentoxy-1,3,5-triazine?
2-pentoxy-1,3,5-triazine has a molecular weight of 167.21 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1,3,5-triazine is sourced from PubChem (CID 68953481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).