6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol

C9H18N6O — CID 18363803

IUPAC6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESNc1nc(N)nc(NCCCCCCO)n1
InChIInChI=1S/C9H18N6O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H5,10,11,12,13,14,15)
InChIKeyZYEPUQANSQPRIQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.00
Rot. Bonds7

About 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol

6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol (PubChem CID 18363803) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol
PubChem CID18363803
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESNc1nc(N)nc(NCCCCCCO)n1
InChIInChI=1S/C9H18N6O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H5,10,11,12,13,14,15)
InChIKeyZYEPUQANSQPRIQ-UHFFFAOYSA-N
XLogP0.00
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.00
H-Bond Donors ≤ 54
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 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol (CID 18363803) is 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol is Nc1nc(N)nc(NCCCCCCO)n1.
What is the InChIKey of 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The InChIKey is ZYEPUQANSQPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H5,10,11,12,13,14,15).
What are the key properties of 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol?
6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 0.00, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 18363803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).