[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol

C9H18N6O — CID 141133676

IUPAC[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol
SMILESCCCCCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O/c1-2-3-4-5-15(6-16)9-13-7(10)12-8(11)14-9/h16H,2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyMNJPEOUOGUWKNO-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.02
Rot. Bonds6

About [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol

[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol (PubChem CID 141133676) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol.

Molecular Properties

Compound Name[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol
PubChem CID141133676
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol
SMILESCCCCCN(CO)c1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O/c1-2-3-4-5-15(6-16)9-13-7(10)12-8(11)14-9/h16H,2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyMNJPEOUOGUWKNO-UHFFFAOYSA-N
XLogP-0.02
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol?
The IUPAC name of [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol (CID 141133676) is [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol.
What is the SMILES notation for [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol?
The canonical SMILES for [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol is CCCCCN(CO)c1nc(N)nc(N)n1.
What is the InChIKey of [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol?
The InChIKey is MNJPEOUOGUWKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-2-3-4-5-15(6-16)9-13-7(10)12-8(11)14-9/h16H,2-6H2,1H3,(H4,10,11,12,13,14).
What are the key properties of [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol?
[(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol has a molecular weight of 226.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-diamino-1,3,5-triazin-2-yl)-pentylamino]methanol is sourced from PubChem (CID 141133676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).