3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol

C12H19N7O2 — CID 80832648

IUPAC3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCCNc1nc(NCC(O)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O2/c1-2-3-14-10-16-11(15-6-9(21)7-20)18-12(17-10)19-5-4-13-8-19/h4-5,8-9,20-21H,2-3,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyZUIYHCPYBNQCDS-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.36
Rot. Bonds8

About 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol

3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80832648) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80832648
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCCCNc1nc(NCC(O)CO)nc(-n2ccnc2)n1
InChIInChI=1S/C12H19N7O2/c1-2-3-14-10-16-11(15-6-9(21)7-20)18-12(17-10)19-5-4-13-8-19/h4-5,8-9,20-21H,2-3,6-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyZUIYHCPYBNQCDS-UHFFFAOYSA-N
XLogP-0.36
TPSA121.01 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol with MolForge

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Related Compounds

2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
CID 80833674
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80887756
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756

Frequently Asked Questions

What is the IUPAC name of 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80832648) is 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CCCNc1nc(NCC(O)CO)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is ZUIYHCPYBNQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-2-3-14-10-16-11(15-6-9(21)7-20)18-12(17-10)19-5-4-13-8-19/h4-5,8-9,20-21H,2-3,6-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 293.33 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80832648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).