1,3,5-triazin-2-yl 6-aminohexanoate

C9H14N4O2 — CID 175231493

IUPAC1,3,5-triazin-2-yl 6-aminohexanoate
SMILESNCCCCCC(=O)Oc1ncncn1
InChIInChI=1S/C9H14N4O2/c10-5-3-1-2-4-8(14)15-9-12-6-11-7-13-9/h6-7H,1-5,10H2
InChIKeyCGECOEFDQAYMQW-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.30
Rot. Bonds6

About 1,3,5-triazin-2-yl 6-aminohexanoate

1,3,5-triazin-2-yl 6-aminohexanoate (PubChem CID 175231493) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl 6-aminohexanoate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl 6-aminohexanoate
PubChem CID175231493
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1,3,5-triazin-2-yl 6-aminohexanoate
SMILESNCCCCCC(=O)Oc1ncncn1
InChIInChI=1S/C9H14N4O2/c10-5-3-1-2-4-8(14)15-9-12-6-11-7-13-9/h6-7H,1-5,10H2
InChIKeyCGECOEFDQAYMQW-UHFFFAOYSA-N
XLogP0.30
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl 6-aminohexanoate?
The IUPAC name of 1,3,5-triazin-2-yl 6-aminohexanoate (CID 175231493) is 1,3,5-triazin-2-yl 6-aminohexanoate.
What is the SMILES notation for 1,3,5-triazin-2-yl 6-aminohexanoate?
The canonical SMILES for 1,3,5-triazin-2-yl 6-aminohexanoate is NCCCCCC(=O)Oc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl 6-aminohexanoate?
The InChIKey is CGECOEFDQAYMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-5-3-1-2-4-8(14)15-9-12-6-11-7-13-9/h6-7H,1-5,10H2.
What are the key properties of 1,3,5-triazin-2-yl 6-aminohexanoate?
1,3,5-triazin-2-yl 6-aminohexanoate has a molecular weight of 210.24 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl 6-aminohexanoate is sourced from PubChem (CID 175231493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).