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

C8H16N6O — CID 12010694

IUPAC5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESNc1nc(N)nc(NCCCCCO)n1
InChIInChI=1S/C8H16N6O/c9-6-12-7(10)14-8(13-6)11-4-2-1-3-5-15/h15H,1-5H2,(H5,9,10,11,12,13,14)
InChIKeyKKKLGUUDKIHGIE-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.39
Rot. Bonds6

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

5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol (PubChem CID 12010694) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol
PubChem CID12010694
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol
SMILESNc1nc(N)nc(NCCCCCO)n1
InChIInChI=1S/C8H16N6O/c9-6-12-7(10)14-8(13-6)11-4-2-1-3-5-15/h15H,1-5H2,(H5,9,10,11,12,13,14)
InChIKeyKKKLGUUDKIHGIE-UHFFFAOYSA-N
XLogP-0.39
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.39
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 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol (CID 12010694) is 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol is Nc1nc(N)nc(NCCCCCO)n1.
What is the InChIKey of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol?
The InChIKey is KKKLGUUDKIHGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c9-6-12-7(10)14-8(13-6)11-4-2-1-3-5-15/h15H,1-5H2,(H5,9,10,11,12,13,14).
What are the key properties of 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol?
5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol has a molecular weight of 212.26 g/mol, XLogP of -0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 12010694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).