hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine

C10H24N6O2 — CID 22768235

IUPAChexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCO.CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O.C3H6N6.CH4O/c1-2-3-4-5-6-7;4-1-7-2(5)9-3(6)8-1;1-2/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9);2H,1H3
InChIKeyRDTSMPJSNKAPHE-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.21
Rot. Bonds4

About hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine

hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 22768235) has the molecular formula C10H24N6O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namehexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine
PubChem CID22768235
Molecular FormulaC10H24N6O2
Molecular Weight260.34 g/mol
Exact Mass260.20
IUPAC Namehexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCO.CO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O.C3H6N6.CH4O/c1-2-3-4-5-6-7;4-1-7-2(5)9-3(6)8-1;1-2/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9);2H,1H3
InChIKeyRDTSMPJSNKAPHE-UHFFFAOYSA-N
XLogP-0.21
TPSA157.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine (CID 22768235) is hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine is CCCCCCO.CO.Nc1nc(N)nc(N)n1.
What is the InChIKey of hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is RDTSMPJSNKAPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H6N6.CH4O/c1-2-3-4-5-6-7;4-1-7-2(5)9-3(6)8-1;1-2/h7H,2-6H2,1H3;(H6,4,5,6,7,8,9);2H,1H3.
What are the key properties of hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine?
hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 260.34 g/mol, XLogP of -0.21, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-ol;methanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22768235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).