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

C15H17N5O — CID 164629918

IUPAC5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole
SMILESCc1cc(C)c2oc(N3CCn4cnnc4[C@@H]3C)nc2c1
InChIInChI=1S/C15H17N5O/c1-9-6-10(2)13-12(7-9)17-15(21-13)20-5-4-19-8-16-18-14(19)11(20)3/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyLUDQSGILSLHDHU-NSHDSACASA-N
MW283.34 g/mol
LogP2.62
Rot. Bonds1

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

5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole (PubChem CID 164629918) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole
PubChem CID164629918
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole
SMILESCc1cc(C)c2oc(N3CCn4cnnc4[C@@H]3C)nc2c1
InChIInChI=1S/C15H17N5O/c1-9-6-10(2)13-12(7-9)17-15(21-13)20-5-4-19-8-16-18-14(19)11(20)3/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyLUDQSGILSLHDHU-NSHDSACASA-N
XLogP2.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole?
The IUPAC name of 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole (CID 164629918) is 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole.
What is the SMILES notation for 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole?
The canonical SMILES for 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole is Cc1cc(C)c2oc(N3CCn4cnnc4[C@@H]3C)nc2c1.
What is the InChIKey of 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole?
The InChIKey is LUDQSGILSLHDHU-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-6-10(2)13-12(7-9)17-15(21-13)20-5-4-19-8-16-18-14(19)11(20)3/h6-8,11H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole?
5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole has a molecular weight of 283.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-benzoxazole is sourced from PubChem (CID 164629918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).