6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol

C10H18N4O — CID 107855093

IUPAC6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
SMILESNc1cnc(NCCCCCCO)cn1
InChIInChI=1S/C10H18N4O/c11-9-7-14-10(8-13-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H2,11,13)(H,12,14)
InChIKeyVAWDQGBTCWGHKT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.02
Rot. Bonds7

About 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol

6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol (PubChem CID 107855093) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
PubChem CID107855093
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
SMILESNc1cnc(NCCCCCCO)cn1
InChIInChI=1S/C10H18N4O/c11-9-7-14-10(8-13-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H2,11,13)(H,12,14)
InChIKeyVAWDQGBTCWGHKT-UHFFFAOYSA-N
XLogP1.02
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol (CID 107855093) is 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol is Nc1cnc(NCCCCCCO)cn1.
What is the InChIKey of 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol?
The InChIKey is VAWDQGBTCWGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-9-7-14-10(8-13-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H2,11,13)(H,12,14).
What are the key properties of 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol?
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 107855093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).