nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine

C17H26N6O2 — CID 139036966

IUPACnonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCC(=O)O.Nc1nc(N)nc(-c2ccccn2)n1
InChIInChI=1S/C9H18O2.C8H8N6/c1-2-3-4-5-6-7-8-9(10)11;9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h2-8H2,1H3,(H,10,11);1-4H,(H4,9,10,12,13,14)
InChIKeyXBWXBIZMQIMPCJ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.92
Rot. Bonds8

About nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine

nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 139036966) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Namenonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID139036966
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Namenonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCC(=O)O.Nc1nc(N)nc(-c2ccccn2)n1
InChIInChI=1S/C9H18O2.C8H8N6/c1-2-3-4-5-6-7-8-9(10)11;9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h2-8H2,1H3,(H,10,11);1-4H,(H4,9,10,12,13,14)
InChIKeyXBWXBIZMQIMPCJ-UHFFFAOYSA-N
XLogP2.92
TPSA140.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine (CID 139036966) is nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine is CCCCCCCCC(=O)O.Nc1nc(N)nc(-c2ccccn2)n1.
What is the InChIKey of nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XBWXBIZMQIMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C8H8N6/c1-2-3-4-5-6-7-8-9(10)11;9-7-12-6(13-8(10)14-7)5-3-1-2-4-11-5/h2-8H2,1H3,(H,10,11);1-4H,(H4,9,10,12,13,14).
What are the key properties of nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine?
nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid;6-pyridin-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139036966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).