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

C11H17N7O2 — CID 80851379

IUPAC7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCOc1nc(N)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C11H17N7O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19)(H2,12,14,15,16)
InChIKeyXJHNJVSETAVDAJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.93
Rot. Bonds3

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

7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 80851379) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID80851379
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCOc1nc(N)nc(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C11H17N7O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19)(H2,12,14,15,16)
InChIKeyXJHNJVSETAVDAJ-UHFFFAOYSA-N
XLogP-0.93
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096304
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
1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198673
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018
2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862624
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862485
7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80836471
7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091952
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
4-(4,4-dimethylazepan-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80842750
4-ethoxy-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
CID 80836544
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 102729128

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-6-ethoxy-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-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 80851379) is 7-(4-amino-6-ethoxy-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-amino-6-ethoxy-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-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCOc1nc(N)nc(N2CCN3C(=O)NCC3C2)n1.
What is the InChIKey of 7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is XJHNJVSETAVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-2-20-10-15-8(12)14-9(16-10)17-3-4-18-7(6-17)5-13-11(18)19/h7H,2-6H2,1H3,(H,13,19)(H2,12,14,15,16).
What are the key properties of 7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 279.30 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 80851379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).