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

C13H21N7O — CID 107324013

IUPAC5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCNc1nc(NCCCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-2-15-11-17-12(16-6-4-3-5-9-21)19-13(18-11)20-8-7-14-10-20/h7-8,10,21H,2-6,9H2,1H3,(H2,15,16,17,18,19)
InChIKeyBREZUFPZNHBUDZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.06
Rot. Bonds9

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

5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol (PubChem CID 107324013) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
PubChem CID107324013
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCNc1nc(NCCCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-2-15-11-17-12(16-6-4-3-5-9-21)19-13(18-11)20-8-7-14-10-20/h7-8,10,21H,2-6,9H2,1H3,(H2,15,16,17,18,19)
InChIKeyBREZUFPZNHBUDZ-UHFFFAOYSA-N
XLogP1.06
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol with MolForge

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Related Compounds

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
4-N-butyl-2-N-ethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754298
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80813614

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol (CID 107324013) is 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol is CCNc1nc(NCCCCCO)nc(-n2ccnc2)n1.
What is the InChIKey of 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The InChIKey is BREZUFPZNHBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-2-15-11-17-12(16-6-4-3-5-9-21)19-13(18-11)20-8-7-14-10-20/h7-8,10,21H,2-6,9H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol?
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol has a molecular weight of 291.36 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 107324013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).