(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C12H20N4O — CID 163307769

IUPAC(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCc1nnc2n1[C@H](C)C(=O)N(CCC)C2
InChIInChI=1S/C12H20N4O/c1-4-6-10-13-14-11-8-15(7-5-2)12(17)9(3)16(10)11/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyOFFXFEBTWUEJHF-SECBINFHSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds4

About (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163307769) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163307769
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCc1nnc2n1[C@H](C)C(=O)N(CCC)C2
InChIInChI=1S/C12H20N4O/c1-4-6-10-13-14-11-8-15(7-5-2)12(17)9(3)16(10)11/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyOFFXFEBTWUEJHF-SECBINFHSA-N
XLogP1.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163307769) is (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCc1nnc2n1[C@H](C)C(=O)N(CCC)C2.
What is the InChIKey of (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is OFFXFEBTWUEJHF-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-6-10-13-14-11-8-15(7-5-2)12(17)9(3)16(10)11/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3,7-dipropyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163307769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).