4-chloro-6-hexoxy-1,3,5-triazin-2-amine

C9H15ClN4O — CID 80861147

IUPAC4-chloro-6-hexoxy-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4O/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyXONFCVDAAGLJNV-UHFFFAOYSA-N
MW230.70 g/mol
LogP2.07
Rot. Bonds6

About 4-chloro-6-hexoxy-1,3,5-triazin-2-amine

4-chloro-6-hexoxy-1,3,5-triazin-2-amine (PubChem CID 80861147) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-6-hexoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-hexoxy-1,3,5-triazin-2-amine
PubChem CID80861147
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-chloro-6-hexoxy-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4O/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyXONFCVDAAGLJNV-UHFFFAOYSA-N
XLogP2.07
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 80877207
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hexoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-hexoxy-1,3,5-triazin-2-amine (CID 80861147) is 4-chloro-6-hexoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-hexoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-hexoxy-1,3,5-triazin-2-amine is CCCCCCOc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-hexoxy-1,3,5-triazin-2-amine?
The InChIKey is XONFCVDAAGLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-hexoxy-1,3,5-triazin-2-amine?
4-chloro-6-hexoxy-1,3,5-triazin-2-amine has a molecular weight of 230.70 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hexoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).