[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone

C14H16N4O — CID 169036001

IUPAC[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
SMILESCc1nnc2n1CCN(C(=O)c1ccccc1)[C@@H]2C
InChIInChI=1S/C14H16N4O/c1-10-13-16-15-11(2)18(13)9-8-17(10)14(19)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRJNRMIPTPSRFER-SNVBAGLBSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds1

About [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone

[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone (PubChem CID 169036001) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
PubChem CID169036001
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
SMILESCc1nnc2n1CCN(C(=O)c1ccccc1)[C@@H]2C
InChIInChI=1S/C14H16N4O/c1-10-13-16-15-11(2)18(13)9-8-17(10)14(19)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1
InChIKeyRJNRMIPTPSRFER-SNVBAGLBSA-N
XLogP1.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone?
The IUPAC name of [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone (CID 169036001) is [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone.
What is the SMILES notation for [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone?
The canonical SMILES for [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone is Cc1nnc2n1CCN(C(=O)c1ccccc1)[C@@H]2C.
What is the InChIKey of [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone?
The InChIKey is RJNRMIPTPSRFER-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-13-16-15-11(2)18(13)9-8-17(10)14(19)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone?
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone is sourced from PubChem (CID 169036001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).