(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

C17H19N7O2 — CID 172669952

IUPAC(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
SMILESCOc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)nn1C
InChIInChI=1S/C17H19N7O2/c1-11-9-23(16(25)14-18-17(26-3)22(2)21-14)10-13-19-20-15(24(11)13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyFCBAHKBCHOUPKC-NSHDSACASA-N
MW353.39 g/mol
LogP1.30
Rot. Bonds3

About (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

(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 (PubChem CID 172669952) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID172669952
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(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
SMILESCOc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)nn1C
InChIInChI=1S/C17H19N7O2/c1-11-9-23(16(25)14-18-17(26-3)22(2)21-14)10-13-19-20-15(24(11)13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyFCBAHKBCHOUPKC-NSHDSACASA-N
XLogP1.30
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697376
(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
(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
(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
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
(2S,3R)-2-amino-3-methoxy-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 175646418
(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
[(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
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
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
[3-(3-aminopropyl)-4-methoxyphenyl]-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175644504

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)nn1C.
What is the InChIKey of (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?
The InChIKey is FCBAHKBCHOUPKC-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-9-23(16(25)14-18-17(26-3)22(2)21-14)10-13-19-20-15(24(11)13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 353.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 172669952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).