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

C14H24N4O — CID 95111876

IUPAC(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1
InChIInChI=1S/C14H24N4O/c1-5-6-11(4)14(19)17-7-8-18-12(9-17)15-16-13(18)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyUSYXGWPBNYGVPF-LLVKDONJSA-N
MW264.37 g/mol
LogP2.18
Rot. Bonds4

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

(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one (PubChem CID 95111876) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
PubChem CID95111876
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1
InChIInChI=1S/C14H24N4O/c1-5-6-11(4)14(19)17-7-8-18-12(9-17)15-16-13(18)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyUSYXGWPBNYGVPF-LLVKDONJSA-N
XLogP2.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The IUPAC name of (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one (CID 95111876) is (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The canonical SMILES for (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one is CCC[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1.
What is the InChIKey of (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
The InChIKey is USYXGWPBNYGVPF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-6-11(4)14(19)17-7-8-18-12(9-17)15-16-13(18)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one?
(2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-1-one is sourced from PubChem (CID 95111876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).