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

C11H17N7O — CID 80779864

IUPAC2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NC(C)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-3-13-9-15-10(14-8(2)6-19)17-11(16-9)18-5-4-12-7-18/h4-5,7-8,19H,3,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKFAGJVYHAPWASP-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.28
Rot. Bonds6

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

2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 80779864) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID80779864
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCNc1nc(NC(C)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7O/c1-3-13-9-15-10(14-8(2)6-19)17-11(16-9)18-5-4-12-7-18/h4-5,7-8,19H,3,6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyKFAGJVYHAPWASP-UHFFFAOYSA-N
XLogP0.28
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 80779864) is 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is CCNc1nc(NC(C)CO)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is KFAGJVYHAPWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-13-9-15-10(14-8(2)6-19)17-11(16-9)18-5-4-12-7-18/h4-5,7-8,19H,3,6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 263.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 80779864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).