4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine

C11H14N6O2 — CID 80873031

IUPAC4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC2CCOC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6O2/c12-9-14-10(17-3-2-13-7-17)16-11(15-9)19-6-8-1-4-18-5-8/h2-3,7-8H,1,4-6H2,(H2,12,14,15,16)
InChIKeyMQOWURWUIWLNSQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.05
Rot. Bonds4

About 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine (PubChem CID 80873031) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
PubChem CID80873031
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCC2CCOC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14N6O2/c12-9-14-10(17-3-2-13-7-17)16-11(15-9)19-6-8-1-4-18-5-8/h2-3,7-8H,1,4-6H2,(H2,12,14,15,16)
InChIKeyMQOWURWUIWLNSQ-UHFFFAOYSA-N
XLogP0.05
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine (CID 80873031) is 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine is Nc1nc(OCC2CCOC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine?
The InChIKey is MQOWURWUIWLNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-9-14-10(17-3-2-13-7-17)16-11(15-9)19-6-8-1-4-18-5-8/h2-3,7-8H,1,4-6H2,(H2,12,14,15,16).
What are the key properties of 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).