7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one

C19H20N6O2 — CID 164691690

IUPAC7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H20N6O2/c1-11-17-21-16(12-3-4-12)22-25(17)8-7-24(11)18(26)13-5-6-14-15(9-13)20-10-23(2)19(14)27/h5-6,9-12H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPFVVNADRGZNMTE-LLVKDONJSA-N
MW364.41 g/mol
LogP1.62
Rot. Bonds2

About 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one

7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one (PubChem CID 164691690) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
PubChem CID164691690
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H20N6O2/c1-11-17-21-16(12-3-4-12)22-25(17)8-7-24(11)18(26)13-5-6-14-15(9-13)20-10-23(2)19(14)27/h5-6,9-12H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPFVVNADRGZNMTE-LLVKDONJSA-N
XLogP1.62
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 164695473
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688290
2-cyclopentyl-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 164693142
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
(3-chloro-4-methoxyphenyl)-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164696413
(2S)-1-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 165425780
(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
CID 70729975
2,3-dihydro-1,4-benzodioxin-6-yl-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 172657012
(3S,4S)-1-(3-methyl-4-oxoquinazoline-7-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 70725153

Frequently Asked Questions

What is the IUPAC name of 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one (CID 164691690) is 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one is C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ccc2c(=O)n(C)cnc2c1.
What is the InChIKey of 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one?
The InChIKey is PFVVNADRGZNMTE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-17-21-16(12-3-4-12)22-25(17)8-7-24(11)18(26)13-5-6-14-15(9-13)20-10-23(2)19(14)27/h5-6,9-12H,3-4,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one?
7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one has a molecular weight of 364.41 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 164691690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).