7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H17ClN6O2 — CID 79094680

IUPAC7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)Oc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C12H17ClN6O2/c1-7(2)21-11-16-9(13)15-10(17-11)18-3-4-19-8(6-18)5-14-12(19)20/h7-8H,3-6H2,1-2H3,(H,14,20)
InChIKeyJFTNDHIZDMSJAZ-UHFFFAOYSA-N
MW312.76 g/mol
LogP0.53
Rot. Bonds3

About 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79094680) has the molecular formula C12H17ClN6O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79094680
Molecular FormulaC12H17ClN6O2
Molecular Weight312.76 g/mol
Exact Mass312.11
IUPAC Name7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(C)Oc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C12H17ClN6O2/c1-7(2)21-11-16-9(13)15-10(17-11)18-3-4-19-8(6-18)5-14-12(19)20/h7-8H,3-6H2,1-2H3,(H,14,20)
InChIKeyJFTNDHIZDMSJAZ-UHFFFAOYSA-N
XLogP0.53
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79094680) is 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(C)Oc1nc(Cl)nc(N2CCN3C(=O)NCC3C2)n1.
What is the InChIKey of 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is JFTNDHIZDMSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O2/c1-7(2)21-11-16-9(13)15-10(17-11)18-3-4-19-8(6-18)5-14-12(19)20/h7-8H,3-6H2,1-2H3,(H,14,20).
What are the key properties of 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 312.76 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79094680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).