3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

C10H20N6O — CID 7589455

IUPAC3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NCC)nc(NCCCO)n1
InChIInChI=1S/C10H20N6O/c1-3-11-8-14-9(12-4-2)16-10(15-8)13-6-5-7-17/h17H,3-7H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyFQFLHAHBQRULFU-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.53
Rot. Bonds8

About 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 7589455) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID7589455
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NCC)nc(NCCCO)n1
InChIInChI=1S/C10H20N6O/c1-3-11-8-14-9(12-4-2)16-10(15-8)13-6-5-7-17/h17H,3-7H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyFQFLHAHBQRULFU-UHFFFAOYSA-N
XLogP0.53
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.53
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 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 7589455) is 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CCNc1nc(NCC)nc(NCCCO)n1.
What is the InChIKey of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is FQFLHAHBQRULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-3-11-8-14-9(12-4-2)16-10(15-8)13-6-5-7-17/h17H,3-7H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.53, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 7589455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).