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

C17H17N5O2 — CID 172672273

IUPAC(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)co1
InChIInChI=1S/C17H17N5O2/c1-11-8-21(17(23)14-10-24-12(2)18-14)9-15-19-20-16(22(11)15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyMNFWVXVPISOIGG-NSHDSACASA-N
MW323.36 g/mol
LogP2.46
Rot. Bonds2

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

(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 172672273) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID172672273
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)co1
InChIInChI=1S/C17H17N5O2/c1-11-8-21(17(23)14-10-24-12(2)18-14)9-15-19-20-16(22(11)15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyMNFWVXVPISOIGG-NSHDSACASA-N
XLogP2.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 172659016
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 172668549
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644584
(1-cyclopropylpyrrol-2-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172668182
(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172669952
1-[4-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 172674389
(1-hydroxycyclopentyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175646082
1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxamide
CID 175644040
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988
[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 175646218
(2S)-2-amino-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-phenylpropan-1-one
CID 175644466
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 172659706

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 172672273) is (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MNFWVXVPISOIGG-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-8-21(17(23)14-10-24-12(2)18-14)9-15-19-20-16(22(11)15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 323.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 172672273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).